Idle trigger diagnostics for scientific instruments

Abstract

Idle trigger diagnosis of scientific instruments. Systems or techniques are provided for facilitating idle trigger diagnostics of scientific instruments. In various embodiments, the scientific instrument may include a mass spectrometer coupled to a chromatograph. In various aspects, the scientific instrument may determine whether the scientific instrument is in an idle period via a temperature sensor of the chromatograph or via a clock of the mass spectrometer. In various examples, the scientific instrument may apply one or more electronic control signals to the mass spectrometer or the chromatograph in response to determining that the scientific instrument is in the idle time period, measure one or more resulting ion spectra via an ion detector of the mass spectrometer, and determining whether the mass spectrometer or the chromatograph is operating properly based on the one or more resulting ion spectra.

Description

Background Art

[0001] Scientific instruments may include complex arrangements of actuatable components, sensors or consumables. Gradual or sudden degradation of any part of such a complex arrangement may occur over the lifetime of the scientific instrument, which may be undesirable. Summary of the invention

[0002] The following presents a summary of the invention to provide a basic understanding of one or more embodiments. The summary of the invention is not intended to identify key or important elements, or to delineate any scope of a particular embodiment or any scope of the claims. Its sole purpose is to present concepts in a simplified form as a prelude to a more detailed description presented later. In one or more embodiments described herein, an apparatus, system, computer-implemented method, device, or computer program product that facilitates idle-triggered diagnostics for scientific instruments is described.

[0003] According to one or more embodiments, a scientific instrument is provided. The scientific instrument may include a mass spectrometer coupled to a chromatograph. The scientific instrument may also include a non-transient computer readable memory that can store computer executable components. The scientific instrument may also include a processor that can be operably coupled to the non-transient computer readable memory and can execute the computer executable components stored in the non-transient computer readable memory. In various embodiments, the computer executable component may include a determination component that can determine whether the scientific instrument is in an idle time period via a temperature sensor of the chromatograph or via a clock of the mass spectrometer. In various aspects, the computer executable component may include a check component that can apply one or more electronic control signals to the mass spectrometer or the chromatograph in response to determining that the scientific instrument is in an idle time period, can measure one or more resulting ion spectra via an ion detector of the mass spectrometer, and can determine whether the mass spectrometer or the chromatograph is operating correctly based on the one or more resulting ion spectra.

[0004] According to one or more embodiments, a computer-implemented method is provided. In various embodiments, the computer-implemented method may include: determining, by a scientific instrument including a mass spectrometer coupled to a chromatograph, whether the scientific instrument is in an idle time period based on a temperature sensor of the chromatograph or based on a clock of the mass spectrometer. In various aspects, the computer-implemented method may include performing a diagnostic check on the mass spectrometer or the chromatograph by the scientific instrument and based at least in part on determining that the scientific instrument is in an idle time period.

[0005] According to one or more embodiments, a computer program product for facilitating idle trigger diagnosis of scientific instruments is provided. In various embodiments, the computer program product may include a non-transient computer readable memory having program instructions embodied therewith. In various aspects, the program instructions may be executable by a processor to enable the processor to measure the temperature of a chromatograph coupled to a mass spectrometer. In various instances, the program instructions may be executable to enable the processor to perform a tuning operation on the mass spectrometer in response to determining that the temperature indicates an idle time period of the mass spectrometer. In various cases, the program instructions may be executable to enable the processor to perform a diagnostic check on the mass spectrometer during the idle time period and after the tuning operation to verify whether the tuning operation is successful, wherein the diagnostic check may involve measuring an ion spectrum via an ion detector of the mass spectrometer and comparing the ion spectrum with a threshold value. BRIEF DESCRIPTION OF THE DRAWINGS

[0006] Various embodiments will be readily understood by the following detailed description in conjunction with the accompanying drawings. For ease of description, the same reference numerals indicate the same structural elements. In the accompanying drawings, various embodiments are shown by way of example and not limitation. The accompanying drawings are not necessarily drawn to scale.

[0007] Figure 1 An example non-limiting block diagram of a scientific instrument module is shown in accordance with various embodiments described herein.

[0008] Figure 2 is an example non-limiting flow chart of a computer-implemented method according to various embodiments described herein.

[0009] Figure 3 A block diagram of an example non-limiting scientific instrument that facilitates idle triggered diagnostics according to one or more embodiments described herein is shown.

[0010] Figure 4 A block diagram of an example non-limiting scientific instrument including idle time periods that facilitate idle-triggered diagnostics according to one or more embodiments described herein is shown.

[0011] Figure 5 A block diagram of an example non-limiting scientific instrument including diagnostic checks that facilitate idle triggered diagnostics according to one or more embodiments described herein is shown.

[0012] Figure 6 An example non-limiting block diagram of an idle-triggered diagnostic check according to one or more embodiments described herein is shown.

[0013] Figure 7A flow chart is shown of an example non-limiting computer-implemented method for facilitating idle triggered diagnostics according to one or more embodiments described herein.

[0014] Figure 8 A block diagram of an example non-limiting scientific instrument including a tuning operation to facilitate idle triggered diagnostics according to one or more embodiments described herein is shown.

[0015] Figures 9 to 14 A flow chart is shown of an example non-limiting computer-implemented method for facilitating idle triggered diagnostics in conjunction with tuning operations according to one or more embodiments described herein.

[0016] Fig.15 An example non-limiting block diagram of a graphical user interface that may be used to perform some or all of the methods or techniques disclosed herein is shown, according to various embodiments described herein.

[0017] Fig.16 An example non-limiting block diagram of a computing device that can perform some or all of the methods or techniques disclosed herein is shown, according to various embodiments described herein.

[0018] Fig.17 An example non-limiting block diagram of a scientific instrument support system in which some or all of the methods or techniques disclosed herein may be performed, according to various embodiments described herein.

[0019] Fig.18 A block diagram is shown of an example non-limiting operating environment in which one or more embodiments described herein may be facilitated.

[0020] Fig.19 An example networking environment is shown that is operable to perform various implementations described herein. DETAILED DESCRIPTION

[0021] The following detailed description is illustrative only and is not intended to limit the embodiments and / or the application / use of the embodiments. In addition, it is not intended to be bound by any explicit or implicit information presented in the previous background or summary or detailed description.

[0022] One or more embodiments are now described with reference to the accompanying drawings, wherein the same reference numerals are used throughout to refer to the same elements. In the following description, for the purpose of explanation, many specific details are set forth to provide a more thorough understanding of one or more embodiments. However, it is apparent that in various circumstances, one or more embodiments may be practiced without these specific details.

[0023] Various operations can be described as multiple discrete actions or operations in a manner that is most helpful for understanding the subject matter disclosed herein. However, the described order should not be interpreted as implying that these operations must rely on the order. In particular, these operations can be performed in an order different from the order of presentation. The described operations can be performed in an order different from the described embodiments. In additional embodiments, various additional operations can be performed, or the described operations can be omitted.

[0024] Although some elements may be referred to in singular form (e.g., "processing device"), any appropriate element may be represented by multiple instances of the element, and vice versa. For example, a set of operations described as being performed by a processing device may be implemented as different ones of the operations being performed by different processing devices. As used herein, the phrase "based on" should be understood to mean "based at least in part on," unless otherwise specified.

[0025] The scientific instrument may be any suitable computerized device capable of capturing electronic measurements in a scientific, laboratory, research, or clinical operating context or environment. As a non-limiting example, the scientific instrument may be a mass spectrometer coupled to a chromatograph, which may help determine the chemical composition or composition of an unknown sample. As another non-limiting example, the scientific instrument may be a scanning electron microscope, which may help determine the surface topography of a microscopic or nanoscopic sample.

[0026] In any case, a scientific instrument may include a complex arrangement of actuatable components (e.g., ion sources, ion lenses, heaters, coolers, fluid valves, fluid pumps, circuit switches), sensors (e.g., ion detectors, voltmeters, thermistors, potentiometers, manometers), or consumables (e.g., carrier fluids, calibrants, filters). Gradual or sudden degradation of any part of such a complex arrangement may occur over the useful life of the scientific instrument (e.g., as the scientific instrument experiences wear). Such degradation may adversely affect the degree to which the scientific instrument is able to analyze samples accurately or reliably, which may be considered undesirable.

[0027] Therefore, systems or techniques that can improve such degradation may be considered desirable.

[0028] Various embodiments described herein can address such degradations.One or more embodiments described herein can include a system, computer-implemented method, apparatus, or computer program product that can facilitate idle-triggered diagnostics for scientific instruments.

[0029] In particular, the scientific instrument may be able to perform diagnostic checks on itself to ensure that its component hardware is operating properly, within defined tolerances, or otherwise as expected. If the diagnostic checks reveal that one or more pieces of the scientific instrument's hardware are not operating properly, within those defined tolerances, or otherwise as expected, then it may be concluded that the scientific instrument has experienced some form of degradation, and a user or technician associated with the scientific instrument may take action accordingly to repair or resolve such degradation.

[0030] However, as recognized by the inventors of the various embodiments described herein, the prior art has various shortcomings in scheduling such diagnostic checks. In fact, the prior art causes the scientific instrument to perform such diagnostic checks only upon direct manual prompting by a user or technician (e.g., the user or technician may interact with a graphical user interface of the scientific instrument, and such interaction may cause the scientific instrument to initiate or start a diagnostic check immediately or at a future time specified by the user or technician). Because such prior art relies on manual prompting by a user or technician, such prior art is susceptible to performing diagnostic checks at a lower frequency than may be recommended (e.g., a user or technician may forget or deliberately choose not to manually initiate or schedule a diagnostic check at any given time). Therefore, when implementing the prior art, the scientific instrument may be considered more likely to experience undetected or unresolved degradation.

[0031] Various embodiments described herein can improve this technical problem via the diagnostic check of idle triggering. In particular, various embodiments described herein can be related to scientific instruments to determine whether it is currently in idle time period. In various aspects, idle time period can be any span, interval, window or moment that scientific instruments are not used to measure or analyze samples. In some instances, scientific instruments can promote such determination (for example, if scientific instruments are not currently in operating temperature, operating pressure, operating voltage or working liquid level, it can be concluded that scientific instruments do not analyze or will not analyze samples and are therefore in idle time period) via one or more temperature, pressure, voltage or fluid sensors that it can include. In other instances, scientific instruments can promote such determination (for example, scientific instruments can be arranged to analyze samples during a limited time span; if the current time is outside the predetermined time span, it can be concluded that scientific instruments do not analyze samples or will not analyze samples and are therefore in idle time period) via clocks that it can include. In any case, in response to or otherwise based on determining that scientific instruments are currently in idle time period, scientific instruments can perform diagnostic checks on themselves. In other words, diagnostic checks can be considered to be triggered by idle time period. In yet other words, the various embodiments described herein can be considered to automatically convert time that a scientific instrument would otherwise be idle into time effectively spent performing self-diagnostics. By utilizing idle time as a trigger for a diagnostic check, the various embodiments described herein can be considered to make the diagnostic check no longer dependent on or based on manual prompting by a user or technician. Thus, the likelihood that a scientific instrument will experience unresolved degradation can be reduced.

[0032] Furthermore, various embodiments described herein may involve a rich interaction between diagnostic checks that may be performed by a scientific instrument and tuning operations that may be performed by the scientific instrument. Indeed, similar to diagnostic checks, a scientific instrument may be able to perform tuning operations on itself. However, unlike diagnostic checks that may determine whether a piece of hardware of a scientific instrument is within defined tolerances or otherwise operating as expected, a tuning operation may instead involve calibrating one or more configurable parameters of the scientific instrument (e.g., voltage ramp rate, detector gain, mass resolution, mass range, sensitivity) so that the scientific instrument analyzes a sample in a desired manner.

[0033] In various embodiments, the scientific instrument may perform a tuning operation based on an idle-triggered diagnostic check. In particular, the scientific instrument may perform a diagnostic check in response to determining that it is currently in an idle period, and the scientific instrument may also perform a tuning operation on or otherwise with respect to some of the component hardware of the scientific instrument in response to the diagnostic check indicating that the component hardware is not functioning properly. In this case, the subsequent tuning operation may be considered an automatic attempt to correct a problem detected by the diagnostic check.

[0034] In other embodiments, the scientific instrument may perform a diagnostic check to help verify the idle-triggered tuning operation. More specifically, the scientific instrument may perform a tuning operation in response to determining that it is currently in an idle period, and the scientific instrument may also perform a diagnostic check in response to completion of the tuning operation. If the diagnostic check indicates that the scientific instrument is not operating properly, then it may be concluded that the tuning operation was unsuccessful or otherwise untrustworthy.

[0035] In other embodiments, the scientific instrument may perform a diagnostic check to help explain an abnormal idle-triggered tuning operation. More specifically, the scientific instrument may perform a tuning operation in response to determining that it is currently in an idle period, and the scientific instrument may also perform a diagnostic check in response to encountering an anomaly (e.g., a flat or distorted tuning curve) in a tuning operation. If the diagnostic check indicates that some component hardware of the scientific instrument is not operating properly, it may be concluded that damage or degradation of the component hardware caused or otherwise contributed to the tuning anomaly.

[0036] In this way, idle-triggered diagnostic checks and idle-triggered tuning operations can inform or otherwise react to each other, which can help deepen or enhance the automatic self-monitoring capabilities of scientific instruments.

[0037] Various embodiments described herein may be considered to be computerized tools (e.g., any suitable combination of computer executable hardware or computer executable software) that may be electronically installed on or otherwise installed relative to a scientific instrument and may facilitate idle triggered diagnostics of a scientific instrument. In various aspects, such computerized tools may include an access component, a determination component, a check component, or a result component.

[0038] In some embodiments, scientific instrument can include mass spectrometer and chromatograph.In various fields, mass spectrometer can include any suitable composition hardware.As some non-limiting examples, mass spectrometer can include any suitable ion beam emitter (for example, electronic ion generator, chemical ion generator, matrix-assisted laser desorption ion generator, electrospray ion generator, atmospheric pressure photoion generator, inductively coupled plasma ion generator), any suitable mass analyzer (for example, quadrupole mass analyzer, ion trap mass analyzer, time-of-flight mass analyzer, sector mass analyzer), any suitable ion detector (for example, electron multiplier detector, Faraday cup detector) or any suitable ion optical equipment (for example, ion focusing lens, ion guide, ion deflector).Similarly, in various examples, chromatograph can include any suitable composition hardware (for example, gas chromatography hardware, liquid chromatography hardware).As some non-limiting examples, chromatograph can include any suitable injector (for example, electrospray needle), any suitable chromatographic column (for example, including any suitable stationary phase), any suitable column oven or heater or any suitable carrier fluid flow equipment (for example, fluid valve, fluid pump). In various cases, given any sample, the sample can be injected into a chromatograph, the sample can be separated into its various constituent components by the chromatograph, and those various constituent components can be ionized and subsequently analyzed by a mass spectrometer (e.g., a mass spectrometer can record the relative abundance of the sample ions as a function of the mass-to-charge ratio).

[0039] In various embodiments, the access component of the computerized tool can electronically access the chromatograph or mass spectrometer. That is, the access component can electronically interface or communicate with the chromatograph or with the mass spectrometer so that other components of the computerized tool can electronically interact with the chromatograph or mass spectrometer (e.g., send electronic commands to it, read electronic signals from it).

[0040] In various embodiments, the determination component of the computerized tool can electronically determine whether the chromatograph or mass spectrometer is currently in an idle time period. In various fields, as the name implies, the idle time period can be any suitable time span (for example, in seconds, minutes or hours) when the chromatograph or mass spectrometer is idle (for example, not analyzing or otherwise operating the sample). In some cases, the idle time period can span several hours (for example, such as overnight). In other cases, the idle time period can span several seconds or minutes (for example, such as between sample runs). In various fields, the determination component can perform or promote this determination in any suitable manner.

[0041] As a non-limiting example, the chromatograph can have one or more temperature sensors embedded therein. In various instances, it is determined that the component can utilize those temperature sensors to determine whether the chromatograph and mass spectrometer are in an idle time period. In fact, it is determined that the component can measure one or more internal temperatures (e.g., column temperature, column oven temperature) of the chromatograph, and it is determined that the component can infer the idle time period based on those internal temperatures. For example, if those internal temperatures are equal to or otherwise within any suitable threshold margin of the known operating temperature of the chromatograph, it is determined that the component can infer that the chromatograph is currently analyzing (or about to analyze) samples. Therefore, in this case, it is determined that the component can conclude that the chromatograph and mass spectrometer are not in an idle time period. On the other hand, if those internal temperatures are equal to or otherwise within any suitable threshold margin of the known idle (e.g., stable) temperature of the chromatograph, it is determined that the component can alternatively infer that the chromatograph does not currently analyze (and is not about to analyze) samples. Therefore, in this case, it is determined that the component can conclude that the chromatograph and mass spectrometer are in an idle time period.

[0042] As another non-limiting example, a mass spectrometer may have a clock embedded therein. In various aspects, the determination component may utilize the clock to determine whether the chromatograph and the mass spectrometer are in an idle time period. In fact, in some instances, the mass spectrometer may be arranged to analyze samples during a specific time span. If the current time measured by the clock of the mass spectrometer is within a specific time span (or less than a threshold time amount before it), the determination component may infer that the mass spectrometer is currently analyzing (or about to analyze) a sample. Therefore, in this case, the determination component may conclude that the chromatograph and the mass spectrometer are not in an idle time period. On the other hand, if the current time measured by the clock of the mass spectrometer is outside a specific time span (and greater than a threshold time amount before), the determination component may infer that the mass spectrometer is not currently analyzing (and will not be about to analyze) a sample. Therefore, in this case, the determination component may conclude that the chromatograph and the mass spectrometer are in an idle time period.

[0043] In any case, the determining component can determine whether the chromatograph and the mass spectrometer are in an idle period.

[0044] In various embodiments, the check component of the computerized tool can refrain from taking action in response to the determination component concluding that the chromatograph and mass spectrometer are not in an idle time period. However, in response to the determination component concluding that the chromatograph and mass spectrometer are in an idle time period, the check component can electronically perform (or otherwise electronically cause to be performed) a diagnostic check on the mass spectrometer or chromatograph (e.g., such that the diagnostic check is performed during the idle time period). Therefore, the diagnostic check can be considered to be automatically triggered or caused by detecting an idle time period.

[0045] In various aspects, the diagnostic check may involve applying one or more electronic control signals to the chromatograph or mass spectrometer by the check component. Such electronic control signals may activate, deactivate, or otherwise actuate any suitable controllable features of the constituent hardware of the chromatograph or mass spectrometer. In various instances, the diagnostic check may also involve recording one or more ion abundances by the check component, which are measured by the ion detector of the mass spectrometer and may be considered to be generated by or otherwise related to the one or more electronic control signals. In various cases, the detection component may compare those measured ion abundances with each other or with any suitable threshold value to make a diagnostic determination about one or more pieces of constituent hardware of the chromatograph or mass spectrometer (e.g., if one or more measured ion abundances are within a defined tolerance, it may be concluded or inferred that the constituent hardware is operating normally; if one or more measured ion abundances are not within a defined tolerance, it may be concluded or inferred that the constituent hardware is not operating normally). As some non-limiting examples, the diagnostic check may be an ion optical lens connection check, an ion optical lens charging check, a carrier fluid leak check, an ion detector background noise check, an ion fragmentation check, an electrospray stability check, or a calibration solution check.

[0046] However, in some embodiments, the diagnostic check may more generally involve applying one or more electronic control signals to a chromatograph or mass spectrometer, recording one or more electronic readback signals (e.g., not necessarily ion spectra) measured by any suitable electronic sensor (e.g., temperature sensor, pressure sensor, voltage sensor, strain gauge) of the chromatograph or mass spectrometer, which one or more electronic readback signals may be considered to be generated by or otherwise related to the one or more electronic control signals, and comparing those readback signals to each other or relative to any suitable threshold value to make a diagnostic determination. As some non-limiting examples, the diagnostic check may be an electronic communication check, a filament control check, a migration tube check, or a polarity switching check.

[0047] In any case, the detection assembly can perform diagnostic checks during idle time periods to determine whether the chromatograph or mass spectrometer has experienced degradation or requires maintenance. In this way, time that would otherwise be wasted can be effectively used for automated diagnostics, rather than relying on manual prompts to perform.

[0048] In some embodiments, the check component can electronically perform (or otherwise electronically cause to be performed) a tuning operation on a mass spectrometer or chromatograph in conjunction with a diagnostic check. This can result in a rich interaction where the diagnostic check informs the tuning operation or vice versa, which can be considered to enhance the self-monitoring capabilities of a scientific instrument.

[0049] As a non-limiting example, as described above, the check component can perform a diagnostic check in response to detecting an idle time period. In various aspects, the check component can avoid taking further action in response to the diagnostic check indicating that the chromatograph or mass spectrometer is operating normally. However, the check component can perform a tuning operation on the chromatograph or mass spectrometer in response to the diagnostic check indicating that the chromatograph or mass spectrometer is not operating normally. In various instances, this can be considered as an automatic attempt to repair or correct any abnormal condition detected by the diagnostic check.

[0050] As another non-limiting example, the check component can perform a tuning operation in response to detecting an idle time period, and the check component can perform a diagnostic check when the tuning operation is complete. If the diagnostic check indicates that the chromatograph or mass spectrometer is operating normally, the check component can conclude or infer that the tuning operation is successful, valid, or otherwise credible. Conversely, if the diagnostic check indicates that the chromatograph or mass spectrometer is not operating normally, the detection component can conclude or infer that the tuning operation is unsuccessful, invalid, or otherwise untrustworthy. In this way, the diagnostic check can be considered to help verify or check the tuning operation.

[0051] As another non-limiting example, the inspection component can perform a tuning operation in response to detecting an idle time period two, and the inspection component can perform a diagnostic check in response to encountering an anomaly (e.g., an unexpected or abnormal tuning curve) during the tuning operation. If the diagnostic check indicates that the chromatograph or mass spectrometer is operating normally, the inspection component can conclude or infer that the tuning operation is successful, valid, or otherwise credible, despite the anomaly. Conversely, if the diagnostic check indicates that the chromatograph or mass spectrometer is not operating normally, the inspection component can conclude or infer that the tuning operation has become unsuccessful, invalid, or otherwise untrustworthy due to the anomaly. In fact, in some cases, if the diagnostic check shows that a specific component hardware of the chromatograph or mass spectrometer is not operating normally, the specific component hardware can be considered to be the cause of (e.g., causing) the anomaly. In this way, the diagnostic check can be considered to help troubleshoot any abnormal behavior encountered during the tuning operation.

[0052] In various embodiments, the result component of the computerized tool can perform any suitable electronic action based on the diagnostic check (or based on the tuning operation) performed by the check component. As a non-limiting example, the result component can visually present an electronic notification on any suitable electronic display (e.g., a computer screen, a computer monitor) of the chromatograph or mass spectrometer, which indicates (e.g., via text, numbers, or charts) any determination, inference, or assertion made by the check component based on the diagnostic check (or based on the tuning operation). Therefore, a user or technician of the scientific instrument can be informed of such determination, inference, or assertion to know whether the maintenance of the chromatograph or mass spectrometer is justified.

[0053] Various embodiments described herein can be used to solve problems that are highly technical in nature (e.g., to facilitate diagnostics of idle triggers for scientific instruments) using hardware or software that are not abstract and cannot be performed by a human as a set of mental actions. In addition, some of the processes performed can be performed by a special purpose computer (e.g., a mass spectrometer including an ion detector) for performing defined actions associated with scientific instruments.

[0054] For example, such defined actions may include: determining by a scientific instrument including a mass spectrometer coupled to a chromatograph whether the scientific instrument is in an idle time period based on a temperature sensor of the chromatograph or based on a clock of the mass spectrometer; and performing a diagnostic check on the mass spectrometer or chromatograph by the scientific instrument and at least in part based on determining that the scientific instrument is in an idle time period. In various aspects, the diagnostic check may include: applying one or more electronic control signals to the mass spectrometer or chromatograph; measuring one or more resulting ion spectra via an ion detector of the mass spectrometer; and determining whether the mass spectrometer or chromatograph is operating normally based on one or more resulting abundances. In addition, in some instances, such defined tasks may also include: performing a tuning operation on the mass spectrometer or chromatograph by the scientific instrument, wherein the tuning operation and the diagnostic check may inform each other (e.g., the tuning operation may be considered an attempt to correct a problem detected by the diagnostic check; the diagnostic check may be considered to verify the efficacy of the tuning operation; the diagnostic check may be considered to identify the cause of an anomaly encountered during the tuning operation).

[0055] Such defined actions are inherently computerized. In fact, scientific instruments such as chromatographs and mass spectrometers are highly technical computerized devices that include specific computerized hardware (e.g., temperature sensors, pressure sensors, voltage sensors, ion beam emitters, ion focusing lenses, mass analyzers, ion detectors). Scientific instruments and the operations they perform cannot be implemented in any reasonable or feasible manner by the human brain or by a person with a pen and paper without a computer.

[0056] In addition, various embodiments described herein may integrate various teachings related to idle-triggered diagnostics for scientific instruments into practical applications. As described above, a scientific instrument may perform diagnostic checks on itself to determine whether its component hardware is operating within defined tolerances. When implementing the prior art, a scientific instrument performs diagnostic checks on itself only when manually prompted by a user or technician of the scientific instrument. Such reliance on manual prompting may result in situations where diagnostic checks are performed less frequently than required (e.g., a user or technician may forget or choose not to prompt a diagnostic check), which may result in the scientific instrument experiencing unresolved or uncorrected degradation of its component hardware.

[0057] Various embodiments described herein can help improve such unresolved or uncorrected degradation via idle trigger diagnosis. In particular, various embodiments described herein may involve automatically detecting (e.g., via temperature, pressure, voltage or time sensors) whether a scientific instrument is currently in an idle time period, and automatically performing diagnostic checks on scientific instruments (e.g., ion lens connection checks, ion lens charging checks, carrier fluid checks, electrostatic sprayer checks) in response to or otherwise based on detecting an idle time period. That is, the diagnostic check can be triggered by an idle time period or otherwise caused. Such embodiments can facilitate performing diagnostic checks more frequently than prior art techniques that rely on manual prompts. Therefore, such embodiments can help reduce the possibility of a situation in which a scientific instrument analyzes a sample with degraded component hardware. In addition, various embodiments can involve performing tuning operations in conjunction with diagnostic checks. As described herein, there can be a rich interaction between diagnostic checks and tuning operations in order to enhance the automatic self-monitoring capabilities of scientific instruments (e.g., a tuning operation can be considered an attempt to repair a problem that has been identified by a diagnostic check; a diagnostic check can be considered a way to verify whether a tuning operation can be considered valid or credible; a diagnostic check can be considered a way to identify potential causes of anomalies encountered during a tuning operation). The prior art has not benefited from this rich interaction. For at least these reasons, the various embodiments described herein can be considered to be concrete and tangible technical improvements in the field of scientific instrumentation. Therefore, the various embodiments described herein certainly qualify as useful and practical applications of computers.

[0058] Additionally, various embodiments described herein can control real-world tangible devices based on the disclosed teachings. For example, various embodiments described herein can electronically activate, deactivate, or otherwise actuate real-world hardware (e.g., ion beam emitters, ion focusing lenses, carrier fluid valves / pumps) of real-world scientific instruments (e.g., chromatographs, mass spectrometers).

[0059] Figure 1 An example non-limiting block diagram of a scientific instrument module 102 is shown in accordance with various embodiments described herein.

[0060] In various embodiments, the scientific instrument module 102 may be implemented by circuitry (e.g., including electrical and / or optical components) such as a programmed computing device. The logical components of the scientific instrument module 102 may be included in a single computing device, or may be distributed across multiple computing devices that communicate with each other, as appropriate. Fig.16 and Fig.18 Examples of computing devices that may implement the scientific instrument module 102, either alone or in combination, are discussed and referenced herein. Fig.17 and Fig.19Examples of systems or networks of interconnected computing devices are discussed, where the scientific instrument module 102 may be implemented across one or more computing devices.

[0061] The scientific instrument module 102 may include a first logic component 104 and a second logic component 106. As used herein, the term "logic component" may include a device that performs a set of operations associated with logic. For example, any of the logic elements included in the scientific instrument module 102 may be implemented by one or more computing devices, which are programmed with instructions to enable one or more processing devices of these computing devices to perform an associated set of operations. In a specific embodiment, the logic element may include one or more non-transient computer-readable media, which have instructions on them, which, when executed by one or more processing devices in one or more computing devices, enable the one or more computing devices to perform an associated set of operations. As used herein, the term "module" may refer to a collection of one or more logic elements, which together perform functions associated with the module. Different logic elements in the logic elements in the module may take the same form or may take different forms. For example, some logic components in the module may be implemented by a programmed general-purpose processing device, while other logic components in the module may be implemented by an application-specific integrated circuit (ASIC). In another example, different logic elements in the logic elements in the module may be associated with different instruction sets executed by one or more processing devices. A module may omit one or more of the logic elements depicted in the associated figures; for example, when a module is to perform a subset of the operations discussed herein with reference to the module, the module may include a subset of the logic elements depicted in the associated figures.

[0062] In various embodiments, there may be a scientific instrument corresponding to scientific instrument module 102. In various aspects, the scientific instrument can be any suitable computerized device that can electronically measure some scientifically relevant, clinically relevant or research-related characteristics, properties or attributes of an analytical sample (e.g., a known or unknown mixture, compound or material set). As a non-limiting example, the scientific instrument can be a mass spectrometer operatively coupled to a chromatograph. In this case, the scientific instrument can measure or determine the ion spectrum (e.g., relative ion abundance as a function of mass-to-charge ratio) of the analytical sample. As another non-limiting example, the scientific instrument can be a scanning electron microscope. In this case, the scientific instrument can measure or determine the surface morphology of the analytical sample.

[0063] In various embodiments, the first logic component 104 can determine whether the scientific instrument is currently in an idle period. In some aspects, the first logic component 104 can facilitate such determination by utilizing any suitable electronic sensor embedded within or otherwise integrated with the scientific instrument.

[0064] As a non-limiting example, the scientific instrument may include a temperature, pressure, or voltage sensor that can measure the current temperature, pressure, or voltage of the scientific instrument. In some cases, if the current temperature, pressure, or voltage of the scientific instrument differs from the known operating temperature, pressure, or voltage value by less than a threshold margin, the first logic component 104 can conclude or determine that the scientific instrument is not currently in an idle time period (e.g., the current temperature, pressure, or voltage can be close enough to the known operating temperature, pressure, or voltage value to indicate that the scientific instrument is currently analyzing or will analyze an analytical sample). On the other hand, if the current temperature, pressure, or voltage of the scientific instrument differs from the known operating temperature, pressure, or voltage value by more than a threshold margin, the first logic component 104 can conclude or determine that the scientific instrument is currently in an idle time period (e.g., the current temperature, pressure, or voltage can be far enough from the known operating temperature, pressure, or voltage value to indicate that the scientific instrument is not currently analyzing and will not analyze an analytical sample).

[0065] In some cases, temperature, pressure or voltage sensors can be utilized to measure not only the current temperature, pressure or voltage of the scientific instrument, but also the rate of change or the direction of change of the current temperature, pressure or voltage, and the first logic component 104 can detect the idle time period based on such rate of change or direction of change. In particular, it is assumed that the scientific instrument performs multiple sample operations continuously or sequentially. For any given sample operation, the various temperatures, pressures or voltages of the scientific instrument can start with the starting value defined, and can be controllably ramped in the entire given sample operation. Therefore, after completing the given sample operation and before starting the next sample operation, the various temperatures, pressures or voltages of the scientific instrument can be controllably reset from its end ramp value back to its starting value defined. Such controlled reset may consume several minutes of time, and can be referred to as the stable period of the scientific instrument. In various aspects, such a stable period can be detected based on the rate of change or direction of change of the current temperature, pressure, or voltage of the scientific instrument (e.g., if the rate of change or direction of change deviates from a defined starting value and is toward an ending ramp value, it can be concluded that the scientific instrument is currently analyzing a sample; conversely, if the rate of change or direction of change is away from the ending ramp value and is toward a defined starting value, it can be concluded that the scientific instrument is in a stable period and therefore is not currently analyzing a sample). In various cases, a stable period can be considered or otherwise considered as an idle period. Therefore, if the temperature, pressure, or voltage sensor indicates that the scientific instrument is currently in a stable period, the first logic component 104 can conclude that the scientific instrument is in an idle period.

[0066] As another non-limiting example, the scientific instrument may include an internal clock that can indicate the current time or date. In various aspects, the scientific instrument may be arranged to analyze the analytical sample during a specific time / date range. If the current time / date is within the predetermined time / date range (or if the current time or date is less than the threshold margin earlier than the predetermined range), the first logic component 104 may determine or determine that the scientific instrument is not currently in an idle time period (e.g., the current time / date may be within the predetermined range, or otherwise too close to the predetermined range, thereby indicating that the scientific instrument is currently analyzing or about to analyze the analytical sample). On the other hand, if the current time / date is outside the predetermined time / date range (and if the current time / date is less than the threshold margin earlier than the predetermined range), the first logic component 104 may determine or determine that the scientific instrument is not currently in an idle time period (e.g., the current time / date may be outside the predetermined range and not too close to the predetermined range, thereby indicating that the scientific instrument is not currently analyzing and will not immediately analyze the analytical sample).

[0067] In various embodiments, the second logic component 106 can avoid performing any action or operation in response to the first logic component 104 determining that the scientific instrument is not currently in an idle time period. However, in various aspects, the second logic component 106 can perform a diagnostic check on the scientific instrument in response to the first logic component 104 determining that the scientific instrument is currently in an idle time period. Such diagnostic checks can be considered to be triggered by detecting an idle time period. In various instances, the diagnostic check can be any suitable sequence of operations that the scientific instrument can automatically perform to verify whether the constituent hardware of the scientific instrument is operating within one or more defined threshold tolerances (e.g., whether it is operating normally or otherwise as expected or expected). Therefore, because different scientific instruments can have different types of constituent hardware, different scientific instruments can perform different types of diagnostic checks. As some non-limiting examples, if the scientific instrument is a mass spectrometer equipped with a chromatograph, the diagnostic check can be: ion focus lens connection check; ion focus lens charging check; carrier fluid leak check; ion beam emitter filament check; ion collision check; electrospray stability check; calibration solution check; migration tube check; or polarity switching check.

[0068] Thus, the scientific instrument module 102 may facilitate idle-triggered diagnostics for scientific instruments.

[0069] Figure 2 is an example non-limiting flowchart of a computer-implemented method 200 according to various embodiments described herein. The operations of the computer-implemented method 200 may be used in any suitable setting to perform any suitable operations (e.g., may be performed by a computer program). Figure 1 , Fig.15 , Fig.16 , Fig.17 , Fig.18 and Fig.19 Executed or used in conjunction with any of the various modules, computing devices, or graphical user interfaces described herein). Figure 2 In the drawings, each operation is shown once in a particular order, but the operations may be reordered or repeated as needed and appropriate (eg, different operations performed may be performed in parallel if appropriate).

[0070] In various aspects, act 202 may include performing a first operation to determine whether the scientific instrument is currently in an idle time period. In various cases, first logic component 104 may perform or otherwise facilitate act 202 .

[0071] In various examples, action 204 may include performing a second operation on, for, or otherwise with respect to the scientific instrument in response to or based on determining that the scientific instrument is currently in an idle time period (the second operation performing a diagnostic check). In various cases, second logic component 106 may perform or otherwise facilitate action 204.

[0072] Thus, the computer-implemented method 200 may facilitate idle-triggered diagnostics for scientific instruments.

[0073] The various embodiments described herein may be implemented to perform idle-triggered diagnostics on any suitable scientific instrument. As a specific and non-limiting example, the various embodiments described herein may be implemented to perform idle-triggered diagnostics on a scientific instrument including a mass spectrometer equipped with a chromatograph. For non-limiting aspects of how the various embodiments may be applied to a mass spectrometer equipped with a chromatograph, refer to Figures 3 to 14 Give a description.

[0074] Figure 3 A block diagram of an example non-limiting scientific instrument that can facilitate idle-triggered diagnostics according to one or more embodiments described herein is shown. As shown, scientific instrument 302 can include chromatograph 304 and mass spectrometer 306 .

[0075] In various embodiments, the chromatograph 304 can be any suitable chromatograph, such as a gas chromatograph or a liquid chromatograph. In various aspects, the chromatograph 304 can include any suitable composition hardware 322 for separating the analysis sample into two or more components. As a non-limiting example, the composition hardware 322 can include a syringe, an oven heating column and a carrier fluid valve or pump. In various aspects, the carrier fluid valve or pump can allow a carrier fluid (e.g., an inert gas or a water-organic solvent mixture) to flow through the chromatograph. In various instances, the syringe can inject the analysis sample (e.g., a compound to be measured or analyzed) into the flowing carrier fluid. In various cases, the injected analysis sample can be carried by the flowing carrier fluid through the column heated by the oven, which can contain any suitable stationary phase. In various aspects, different components (e.g., different elements or molecules) of the analysis sample can interact differently or uniquely with the stationary phase, so that different components of the analysis sample have different flow rates through the oven heating column. Due to this different flow rate, different components can be considered to be physically separated from each other.

[0076] In various aspects, mass spectrometer 306 can be any suitable mass spectrometer. In various instances, mass spectrometer 306 can include any suitable composition hardware 324 for measuring the ion spectrum of the analysis sample. As a non-limiting example, the composition hardware 324 can include an ion beam emitter, ion optical equipment, a mass analyzer and an ion detector. In various cases, the ion beam emitter can receive the component of the analysis sample from the chromatograph 304, and the component can be ionized into an ion beam. The ion beam emitter can promote this via any suitable ionization technology, such as electron ionization, chemical ionization, matrix-assisted laser desorption ionization, electrospray ionization, photoionization or inductively coupled plasma ionization, any of which can be realized in a vacuum or at atmospheric pressure. In various aspects, the ion optical equipment can guide or direct the ion beam generated by the ion beam emitter to pass through the mass analyzer and arrive at the ion detector. The non-limiting example of such ion optical equipment can include an ion focusing lens, an ion guide or an ion deflector. In various instances, the mass analyzer can separate or classify these ions according to the mass-to-charge ratio of any ion present in the ion beam. Non-limiting examples of mass analyzers may include a quadrupole mass analyzer, a time-of-flight mass analyzer, a magnetic sector mass analyzer, an electrostatic sector mass analyzer, a quadrupole ion trap mass analyzer, or an ion cyclotron resonance mass analyzer. In various cases, an ion detector may electronically detect or measure the relative abundance of any ions that strike it. Non-limiting examples of ion detectors may include an electron multiplier ion detector, a photomultiplier tube, a microchannel plate detector, an image charge detector, or a Faraday cup ion detector.

[0077] In any case, given an analytical sample, chromatograph 304 and mass spectrometer 306 may jointly produce an ion spectrum that plots the relative abundance versus mass-to-charge ratio of the various ions of the analytical sample.

[0078] In various embodiments, scientific instrument 302 can include diagnostic system 308. In various cases, diagnostic system 308 can facilitate idle-triggered diagnostics of scientific instrument 302.

[0079] In various aspects, the diagnostic system 308 can include a processor 310 (e.g., a computer processing unit, a microprocessor) and a non-transitory computer readable memory 312 that is operably or operatively or communicatively connected or coupled to the processor 310. The non-transitory computer readable memory 312 can store computer executable instructions that, when executed by the processor 310, can cause the processor 310 or other components of the diagnostic system 308 (e.g., an access component 314, a determination component 316, an examination component 318, a result component 320) to perform one or more actions. In various embodiments, the non-transitory computer readable memory 312 can store computer executable components (e.g., an access component 314, a determination component 316, an examination component 318, a result component 320), and the processor 310 can execute these computer executable components.

[0080] In various embodiments, the diagnostic system 308 may include an access component 314. In various aspects, the access component 314 may communicate electronically with the chromatograph 304 or the mass spectrometer 306 or otherwise interact electronically (e.g., send an electronic signal to the chromatograph or the mass spectrometer, receive an electronic signal from the chromatograph or the mass spectrometer). Therefore, any other component of the diagnostic system 308 may communicate or interact with the chromatograph 304 or with the mass spectrometer 306 by or via the access component 314 (e.g., the access component 314 may serve as an intermediary between any other component of the diagnostic system 308 and the chromatograph 304 or the mass spectrometer 306). However, this is only a non-limiting example. In other cases, the access component 314 may be omitted, and any other component of the diagnostic system 308 may communicate or interact directly with the chromatograph 304 or with the mass spectrometer 306.

[0081] In various embodiments, diagnostic system 308 can include determination component 316. In various aspects, as described herein, determination component 316 can electronically determine or detect when scientific instrument 302 (eg, chromatograph 304 or mass spectrometer 306) is in an idle period of time.

[0082] In various embodiments, the diagnostic system 308 can include a check component 318. In various examples, the check component 318 can electronically perform a diagnostic check on the chromatograph 304 or on the mass spectrometer 306 in response to or otherwise based on detecting an idle time period, as described herein.

[0083] In various embodiments, diagnostic system 308 can include a results component 320. In various cases, as described herein, results component 320 can initiate any suitable electronic action based on the diagnostic examination (eg, a notification regarding the diagnostic examination can be visually presented).

[0084] Figure 4 A block diagram of an example non-limiting scientific instrument including idle time periods that may facilitate idle-triggered diagnostics according to one or more embodiments described herein is shown.

[0085] In various embodiments, the determination component 316 can electronically determine whether the scientific instrument 302 is currently in an idle time period 402. In various aspects, the idle time period 402 can be any suitable moment, interval, span, or time range during which the chromatograph 304 and the mass spectrometer 306 are currently idle, hence the term "idle". In other words, the idle time period 402 can be any suitable time or time instant or window during which the chromatograph 304 and the mass spectrometer 306 are not currently analyzing or running an analytical sample. In various instances, the determination component 316 can electronically monitor the idle time period 402 in any suitable manner or via any suitable technology.

[0086] As a non-limiting example, the determination component 316 can electronically detect the idle time period 402 based on a temperature sensor 404 of the chromatograph 304. In particular, the temperature sensor 404 can be any suitable thermometer, thermocouple, thermistor, or thermostat that can electronically measure a current internal temperature of the chromatograph 304 (e.g., a current temperature of an oven heating column of the chromatograph 304). In various aspects, the determination component 316 can read the current internal temperature measured by the temperature sensor 404, and the determination component 316 can detect the idle time period 402 based on the current internal temperature.

[0087] For example, assume that the current internal temperature of the chromatograph 304 is equal to the known operating temperature value of the chromatograph 304, or is otherwise within any suitable threshold margin of the known operating temperature value. In this case, the determination component 316 can conclude that the scientific instrument 302 is not in the idle time period 402. After all, the current internal temperature is close to the known operating temperature value, which can indicate or indicate that the chromatograph 304 and the mass spectrometer 306 are currently analyzing or running an analytical sample, or are about to analyze or run an analytical sample. Conversely, assume that the current internal temperature of the chromatograph 304 differs from the known operating temperature value by more than the threshold margin. In this case, the determination component 316 can conclude that the scientific instrument 302 is in the idle time period 402. After all, the current internal temperature differs from the known operating temperature value by so much that it can indicate or indicate that the chromatograph 304 and the mass spectrometer 306 are not currently analyzing or running an analytical sample, and will not analyze or run an analytical sample.

[0088] In another example, assume that the current internal temperature of the chromatograph 304 is equal to the known static or equilibrium temperature value of the chromatograph 304, or is otherwise within any suitable threshold margin of the known static or equilibrium temperature value. In this case, the determination component 316 can conclude that the scientific instrument 302 is in the idle time period 402. After all, the current internal temperature is close to the known static or equilibrium temperature value, which can indicate or indicate that the chromatograph 304 and the mass spectrometer 306 are not currently analyzing or running an analytical sample, and will not be about to analyze or run an analytical sample. Conversely, assume that the current internal temperature of the chromatograph 304 differs from the known static or equilibrium temperature value by more than a threshold margin. In this case, the determination component 316 can conclude that the scientific instrument 302 is not in the idle time period 402. After all, the current internal temperature differs from the known static or equilibrium temperature value by so much that it can indicate or indicate that the chromatograph 304 and the mass spectrometer 306 are currently analyzing or running an analytical sample, or will be about to analyze or run an analytical sample.

[0089] In other examples, the determination component 316 can determine or detect the idle time period 402 based on the rate of change of the current internal temperature measured by the temperature sensor 404 instead of or in addition to the magnitude of the current internal temperature. In particular, during the analysis of any given analytical sample, the internal temperature of the chromatograph 304 (e.g., its oven heating column) can be incrementally increased from any suitable starting value to any suitable ending value. Conversely, after a given analytical sample has been completely or fully analyzed, the internal temperature of the chromatograph 304 can be incrementally reset from the ending value back to the starting value so that the chromatograph 304 is ready to analyze subsequent analytical samples. In various aspects, such a reset or stabilization of the internal temperature of the chromatograph 304 (e.g., which can take about three to ten minutes to perform) can be regarded as or otherwise regarded as an idle time period 402, and can be detected based on the rate of change of the current internal temperature measured by the temperature sensor 404. In fact, if the rate of change of the current internal temperature points away from the starting value and toward the ending value, the determination component 316 can conclude that the scientific instrument 302 is currently analyzing the analytical sample and is therefore not in the idle time period 402. Conversely, if the rate of change of the current internal temperature points toward the starting value and away from the ending value, the determination component 316 can conclude that the scientific instrument 302 is currently resetting or stabilizing the chromatograph 304 rather than analyzing an analyte sample, and the determination component 316 can accordingly determine that the scientific instrument 302 is in the idle time period 402 .

[0090] As another non-limiting example, the determining component 316 can electronically detect the idle time period 402 based on the clock 406 of the mass spectrometer 306. In particular, the clock 406 can be any suitable timing device. In various aspects, the determining component 316 can read the current time indicated by the clock 406, and the determining component 316 can detect the idle time period 402 based on this current time.

[0091] For example, suppose that mass spectrometer 306 is arranged to analyze or run an analysis sample, wherein such analysis or operation is arranged to start at a start time and stop at an end time. If the current time measured by clock 406 is between the start time and the end time (e.g., later than the start time and earlier than the end time), then determination component 316 can infer or conclude that chromatograph 304 and mass spectrometer 306 are currently analyzing or running an analysis sample as planned. Therefore, determination component 316 can conclude that scientific instrument 302 is not currently in idle time period 402. In addition, if the current time measured by clock 406 is earlier than the start time but within any suitable threshold margin of the start time, then determination component 316 can infer or conclude that chromatograph 304 and mass spectrometer 306 will soon or will soon analyze or run an analysis sample as planned. Therefore, determination component 316 can conclude that scientific instrument 302 is not currently in idle time period 402. Now, if the current time measured by the clock 406 is earlier than the start time by more than a threshold margin, the determination component 316 can infer or conclude that the chromatograph 304 and the mass spectrometer 306 will not analyze or run the analytical sample as planned soon or soon. Therefore, the determination component 316 can conclude that the scientific instrument 302 is currently in the idle time period 402. In addition, if the current time measured by the clock 406 is later than the end time, the determination component 316 can infer or conclude that the chromatograph 304 and the mass spectrometer 306 have already analyzed or run the analytical sample as planned. Therefore, the determination component 316 can conclude that the scientific instrument 302 is currently in the idle time period 402.

[0092] In other instances, determination component 316 can determine or detect idle time period 402 based on comparing the current time indicated by clock 406 to the operating history of mass spectrometer 306 (e.g., to a log showing previous times when samples were analyzed and other previous times when samples were not analyzed), rather than or in addition to comparing the current time to a start time and end time scheduled in the future.

[0093] In any case, the idle time period 402 can be any suitable time span or time window in which the scientific instrument 302 is not currently analyzing or running an analytical sample. In some instances, as described above, the idle time period 402 can be a stabilization time between consecutive runs of the scientific instrument 302. In other instances, the idle time period 402 can be an extended stabilization time between consecutive runs of the scientific instrument 302, wherein the extended stabilization time can be any stabilization time buffered before or after by inserting additional time that is not spent on running or analyzing analytical samples and not spent on stabilization. For example, assume that for any suitable positive integers x, y1, and y2, the scientific instrument 302 consumes a total of x+y1+y2 seconds between the completion of the first sample run and the start of the second sample run. Here, x can represent the number of seconds consumed by the scientific instrument 302 during the stabilization period (e.g., of the oven of the chromatograph 304); y1 can represent a first time buffer inserted after completing the first sample run but before such stabilization; and y2 can represent a second time buffer inserted after such stabilization but before starting the second sample run. In this case, x+y1+y2 may be considered to be an extended stabilization time for the scientific instrument 302, and the idle time period 402 may be all or any portion of this extended stabilization time.

[0094] Figure 5 A block diagram of an example non-limiting scientific instrument including diagnostic checks that may facilitate idle triggered diagnostics according to one or more embodiments described herein is shown.

[0095] In various embodiments, the check component 318 may refrain from taking or initiating any suitable action or operation in response to the determination component 316 not detecting the idle time period 402 (e.g., in response to the determination component 316 determining that the scientific instrument 302 is not currently in the idle time period 402). However, in various aspects, the check component 318 may electronically perform a diagnostic check 502 on the chromatograph 304 or the mass spectrometer 306 in response to the determination component 316 detecting the idle time period 402 (e.g., in response to the determination component 316 determining that the scientific instrument 302 is currently in the idle time period 402). Therefore, the diagnostic check 502 can be considered to be triggered or caused by the detection or determination of the idle time period 402. In various cases, the diagnostic check 502 can be any suitable automatic check that can evaluate the health, functionality, or operability of any of the component hardware 322 or any of the component hardware 324. In other words, the diagnostic check 502 can evaluate whether any of the component hardware 322 or any of the component hardware 324 is operating within a respective defined tolerance or range. As described with respect to Figure 6 Various non-limiting aspects described.

[0096] Figure 6An example non-limiting block diagram of an idle-triggered diagnostic check according to one or more embodiments described herein is shown.

[0097] In various embodiments, the diagnostic check 502 can include applying one or more electronic control signals 602 to the chromatograph 304 or the mass spectrometer 306 by the check component 318. In various aspects, the one or more electronic control signals 602 can be considered electronic commands or electronic instructions that can be received by the chromatograph 304 or the mass spectrometer 306 to activate, deactivate, actuate, modulate, or otherwise affect any of the component hardware 322 or any of the component hardware 324.

[0098] In various examples, the ion detector of the mass spectrometer 306 can capture or generate one or more measured ion spectra 604, which can be considered to be produced, precipitated, caused by, or otherwise related to the one or more electronic control signals 602. In various cases, the diagnostic check 502 can include recording, logging, or otherwise receiving the one or more measured ion spectra 604 by the check component 318.

[0099] In various aspects, the diagnostic check 502 can include generating a diagnostic determination 606 based on the one or more measured ion spectra 604. In some instances, the check component 318 can generate the diagnostic determination 606 by comparing the one or more measured ion spectra 604 to each other. In other instances, the check component 318 can generate the diagnostic determination 606 by comparing the one or more measured ion spectra 604 to any suitable threshold. In any case, if the one or more measured ion spectra 604 are correlated with each other or with any applicable threshold in an expected manner, the diagnostic determination 606 can indicate that the chromatograph 304 or mass spectrometer 306 is operating normally or otherwise as expected. Conversely, if the one or more measured ion spectra 604 are instead correlated with each other or with any applicable threshold in an unexpected manner, the diagnostic determination 606 can indicate that the chromatograph 304 or mass spectrometer 306 is not operating normally or otherwise as expected.

[0100] As a non-limiting example, the diagnostic check 502 can be a lens connection check of the mass spectrometer 306. In particular, as described above, the component hardware 324 can include an ion focusing lens. In various aspects, one or more electronic control signals 602 can cause the ion beam emitter of the mass spectrometer 306 to be activated so as to emit an ion beam toward the ion focusing lens. In addition, one or more electronic control signals 602 can be expected, intended or assumed to cause the ion focusing lens of the mass spectrometer 306 to be transformed, transferred or otherwise converted to a blocking state (e.g., a state that prevents the incident ion beam from passing through the ion focusing lens) from a through state (e.g., a state that allows the incident ion beam to pass through the ion focusing lens). In various instances, the ion beam emitted by the ion beam emitter can include any given ion. In various cases, one or more measured ion spectra 604 can indicate a first abundance of a given ion, wherein when the ion focusing lens is allegedly in, apparently in, or otherwise assumed to be in a through state, the first abundance can be measured by an ion detector. Likewise, in various aspects, one or more measured ion spectra 604 may indicate a second abundance of a given ion, wherein the second abundance may be measured by the ion detector when the ion focus lens is allegedly in, ostensibly in, or otherwise assumed to be in a blocked state. Now, if the ion focus lens is operating properly, it may be expected that the second abundance will be less than the first abundance by more than a threshold margin. Thus, if this expectation is met (e.g., if the second abundance is less than the first abundance by more than a threshold margin), the diagnostic determination 606 may indicate that the ion focus lens is operating properly (e.g., operating as expected or otherwise operating according to its defined tolerances). Conversely, if this expectation is not met (e.g., if the second abundance is not less than the first abundance by more than a threshold margin), the diagnostic determination 606 may indicate that the ion focus lens is not operating properly (e.g., not operating as expected or otherwise operating according to its defined tolerances). In particular, if the second abundance is not less than the first abundance by more than a threshold margin, the diagnostic determination 606 may specifically indicate that the ion focus lens is or appears to be electrically disconnected or electronically floating.

[0101] As another non-limiting example, the diagnostic check 502 can be a lens charging check of the mass spectrometer 306. In particular, as described above, the component hardware 324 can include an ion focusing lens. In various aspects, the one or more electronic control signals 602 can cause the ion beam emitter of the mass spectrometer 306 to be activated so as to charge the ion focusing lens with an ion beam. In various instances, the ion beam emitted by the ion beam emitter can include any specific ions. In various cases, the one or more measured ion spectra 604 can indicate a first abundance of a specific ion, wherein the first abundance can be measured by an ion detector before the ion focusing lens is charged. Similarly, in various aspects, the one or more measured ion spectra 604 can indicate a second abundance of a specific ion, wherein the second abundance can be measured by an ion detector after, after, or during the ion focusing lens is charged. Now, if the ion focusing lens is operating correctly, it can be expected that the first abundance and the second abundance will differ by less than a threshold margin. Thus, if the expectation is met (e.g., if the first abundance and the second abundance differ by less than a threshold margin), the diagnostic determination 606 can indicate that the ion focus lens is functioning properly (e.g., functioning as expected or otherwise functioning according to its defined tolerances). Conversely, if the expectation is not met (e.g., if the first abundance and the second abundance differ by more than a threshold margin), the diagnostic determination 606 can indicate that the ion focus lens is not functioning properly (e.g., not functioning as expected or otherwise functioning according to its defined tolerances). In particular, if the first abundance and the second abundance differ by more than a threshold margin, the diagnostic determination 606 can specifically indicate that the ion focus lens is or appears to be contaminated by ion spots.

[0102] As yet another non-limiting example, the diagnostic check 502 can be an ion detector background noise check of the mass spectrometer 306. In particular, as described above, the component hardware 324 can include an ion detector. In various aspects, the one or more electronic control signals 602 can cause the ion beam emitter of the mass spectrometer 306 to be deactivated so as not to emit any ion beams. In various cases, the one or more measured ion spectra 604 can indicate the abundance of any given ion, wherein the abundance can be measured by the ion detector after or following the deactivation of the ion beam emitter. Now, if the ion detector is operating correctly, it can be expected that the abundance of a given ion will be less than any suitable threshold value (e.g., in fact, if the ion beam emitter is deactivated, it can be expected that a zero abundance of a given ion is measured; if a non-zero abundance of a given ion is measured, this can indicate that there is electronic interference affecting the ion detector, wherein such interference can be caused by poorly shielded electrodes or wires). Thus, if the expectation is met (e.g., if the abundance of a given ion is less than a threshold value), the diagnostic determination 606 can indicate that the ion detector is functioning properly (e.g., functioning as expected or according to its defined tolerances). Conversely, if the expectation is not met (e.g., if the abundance of a given ion is greater than a threshold value), the diagnostic determination 606 can indicate that the ion focus lens is not functioning properly (e.g., not functioning as expected or not otherwise functioning according to its defined tolerances). In particular, if the abundance of a given ion is greater than a threshold value, the diagnostic determination 606 can specifically indicate that the ion detector is or appears to be too noisy (e.g., is picking up electronic interference that may be mistaken for ion signals).

[0103] Note that the ion detector background noise check may alternatively be performed by activating the ion beam emitter of the mass spectrometer 306 and by setting the ion focusing lens of the mass spectrometer 306 to a blocked state.

[0104] As another non-limiting example, the diagnostic check 502 may be a leak check of the chromatograph 304. In particular, as described above, the component hardware 322 may include a carrier fluid valve or pump. In various aspects, the one or more electronic control signals 602 may cause the carrier fluid valve or pump to be activated (e.g., opened) to allow or cause the carrier fluid to flow through the chromatograph 304. In various instances, any particular ion may be associated with a leak between the chromatograph 304 and the mass spectrometer 306. For example, the particular ion may be an oxygen ion, which may be considered to be associated with an air leak between the chromatograph 304 and the mass spectrometer 306. As another example, the particular ion may alternatively be a constituent component of the carrier fluid, which may be considered to be associated with a carrier fluid leak between the chromatograph 304 and the mass spectrometer 306. In any case, the one or more measured ion spectra 604 may indicate the abundance of a particular ion, which may be measured by an ion detector after or following activation of the carrier fluid valve or pump. Now, if the chromatograph 304 is operating correctly, it may be expected that the abundance of a particular ion will be less than any suitable threshold. Thus, if the expectation is met (e.g., if the abundance of the particular ion is less than a threshold value), the diagnostic determination 606 can indicate that the chromatograph 304 is operating properly (e.g., operating as expected or operating according to its defined tolerances). Conversely, if the expectation is not met (e.g., if the abundance of the particular ion is greater than a threshold value), the diagnostic determination 606 can indicate that the chromatograph 304 is not operating properly (e.g., not operating as expected or not otherwise operating according to its defined tolerances). In particular, if the abundance of the particular ion is greater than a threshold value, the diagnostic determination 606 can specifically indicate that there is or appears to be a leak between the chromatograph 304 and the mass spectrometer 306.

[0105] The above paragraphs present only non-limiting examples of diagnostic checks 502. In various embodiments, diagnostic checks 502 may be any other suitable type of check that may reveal the operational health of any of the component hardware 322 or any of the component hardware 324, and may be facilitated by consideration of one or more measured ion spectra 604. As a non-limiting example, diagnostic check 502 may be an ion collision check that may involve: modulating or adjusting (e.g., via 602) the ion fragmentation path of the mass spectrometer 306; measuring the resulting ion spectrum (e.g., 604) by an ion detector before or after such modulation or change; and determining whether such resulting ion spectrum meets expectations. As another non-limiting example, diagnostic check 502 may be an electrospray stability check that may involve: modulating or adjusting (e.g., via 602) the position, voltage, or fluid flow rate of the electrosprayer of the chromatograph 304; measuring the resulting ion spectrum (e.g., 604) by an ion detector before or after such modulation or change; and determining whether such resulting ion spectrum meets expectations. As even another non-limiting example, the diagnostic check 502 can be a calibration solution check, which can involve: emitting an ion beam using a calibration solution of the chromatograph 304; measuring, by an ion detector, a resulting ion spectrum (e.g., 604) corresponding to the calibration solution; and determining whether such resulting ion spectrum meets expectations.

[0106] Thus far, various embodiments have been described in which the diagnostic check 502 utilizes or is aided by one or more measured ion spectra 604 captured by an ion detector of a mass spectrometer 306. However, this is merely a non-limiting example. More generally, the diagnostic check 502 may involve capturing one or more electronic readback signals generated by or otherwise related to one or more electronic control signals 602 from any suitable electronic sensor (e.g., a temperature sensor, a pressure sensor, a humidity sensor, a strain gauge, a voltage sensor, a current sensor) of the chromatograph 304 or mass spectrometer 306, and the diagnostic determination 606 may be based on whether those one or more electronic readback signals meet expectations or are otherwise within respective defined tolerances. As a non-limiting example, the diagnostic check 502 may be a filament check, which may involve: measuring the emission current on a filament of an ion beam emitter; and determining whether such emission current meets expectations. As another non-limiting example, the diagnostic check 502 may be a communication check, which may involve: measuring the transmission speed of electronic data packets between digital devices within the chromatograph 304 or the mass spectrometer 306; and determining whether such transmission speed meets expectations. As yet another non-limiting example, the diagnostic check 502 may be a migration tube check, which may involve: measuring the pressure drop across the migration tube atmospheric pressure interface of the mass spectrometer 306; and determining whether such pressure drop meets expectations. As yet another non-limiting example, the diagnostic check 502 may be a polarity switching check, which may involve: switching the electronic polarity of various electronic control signals received by the chromatograph 304 or by the mass spectrometer 306; measuring the stabilization time of the electronic control signals after such switching; and determining whether such stabilization time meets expectations.

[0107] In various embodiments, results component 320 of diagnostic system 308 may electronically perform or initiate any suitable action based on diagnostic check 502 .

[0108] As a non-limiting example, the results component 320 can electronically send the diagnostic determination 606 to any suitable computing device.

[0109] As another non-limiting example, the results component 320 can electronically present the diagnostic determination 606 on any suitable electronic display or screen of the scientific instrument 302 .

[0110] As yet another non-limiting example, in response to the diagnostic determination 606 indicating that the chromatograph 304 or the mass spectrometer 306 is not operating properly or otherwise operating as expected, the result component 320 can electronically present a notification on the electronic display indicating that maintenance is required for the chromatograph 304 or the mass spectrometer 306. In particular, in response to the diagnostic determination 606 indicating that the chromatograph 304 or the mass spectrometer 306 is not operating properly or otherwise operating as expected, the result component 320 can electronically identify any suitable maintenance tasks corresponding to the diagnostic check 502, and can electronically recommend or schedule the maintenance tasks to be performed on the chromatograph 304 or the mass spectrometer 306. For example, assume that the diagnostic check 502 is a lens charging check of a particular ion focus lens of the mass spectrometer 306. In this case, the result component 320 can recommend or schedule cleaning or decontamination of the particular ion focus lens.

[0111] Figure 7 A flow chart of an example non-limiting computer-implemented method 700 that can facilitate idle-triggered diagnostics according to one or more embodiments described herein is shown. In various circumstances, the diagnostic system 308 can facilitate the computer-implemented method 700 .

[0112] In various embodiments, action 702 can include measuring, by a scientific instrument (e.g., via 316 mounted on 302) including a mass spectrometer (e.g., 306) and a chromatograph (e.g., 304), a temperature indicated by a temperature sensor (e.g., 404) of the chromatograph or a time indicated by a clock (e.g., 306) of the mass spectrometer.

[0113] In various aspects, act 704 may include determining, by the scientific instrument (e.g., via 316 mounted on 302), whether the temperature (or rate of change thereof) or the time indicates that the scientific instrument is in an idle time period (e.g., 402). If not (e.g., if the temperature or time does not indicate an idle time period), the computer-implemented method 700 may return to act 702. If yes (e.g., if the temperature or time does indicate an idle time period), the computer-implemented method 700 may proceed to act 706.

[0114] As described above, in some cases, the idle period may be a period of time during which the scientific instrument stabilizes or resets itself for subsequent sample runs.

[0115] In various examples, act 706 can include performing a diagnostic check (eg, 502 ) of component hardware (eg, 324 or 322 ) of a mass spectrometer or chromatograph by a scientific instrument (eg, via 318 mounted on 302 ).

[0116] In various cases, act 708 may include determining, by the scientific instrument (e.g., via 320 installed on 302), whether the diagnostic check indicates that the component hardware is not operating correctly. If not (e.g., if the component hardware is operating correctly or properly), the computer-implemented method 700 may return to act 702. If yes (e.g., if the component hardware is not operating correctly or properly), the computer-implemented method 700 may proceed to act 710.

[0117] In various aspects, act 710 may include sending or presenting, by the scientific instrument (eg, via 320 installed on 302 ), a notification indicating that maintenance is required on component hardware.

[0118] Figure 8 A block diagram of an example non-limiting scientific instrument including tuning operations that may facilitate idle triggered diagnostics according to one or more embodiments described herein is shown.

[0119] In various embodiments, as shown, the check component 318 can perform not only the diagnostic check 502 based on the detection of the idle time period 402, but also the tuning operation 802 based on the detection of the idle time period 402. As described above, the diagnostic check 502 can evaluate the health, function, or operability of any one of the component hardware 322 or any one of the component hardware 324. In contrast, the tuning operation 802 can calibrate any suitable configurable parameter of any one of the component hardware 322 or any one of the component hardware 324 to a desired value. As a non-limiting example, the configurable parameter can be the voltage ramp rate of any one of the component hardware of the chromatograph 304 or the mass spectrometer 306. As another non-limiting example, the configurable parameter can be the detector gain setting of the ion detector of the mass spectrometer 306. As another non-limiting example, the configurable parameter can be the mass resolution or mass range of the ion detector of the mass spectrometer 306. As another non-limiting example, the configurable parameter can be the sensitivity setting of any one of the component hardware of the chromatograph 304 or the mass spectrometer 306.

[0120] In other words, the tuning operation 802 can be considered as a calibration of configurable settings of the chromatograph 304 or mass spectrometer 306 that are obviously or explicitly controllable (e.g., detector gain, detector resolution), while the diagnostic check 502 can alternatively be considered as an evaluation of measurable characteristics exhibited by the chromatograph 304 or mass spectrometer 306 that are not obviously or explicitly controllable (e.g., lens contamination, lens disconnection, carrier fluid leakage).

[0121] In various embodiments, there may be an interaction between the diagnostic check 502 and the tuning operation 802 such that they may interact with or otherwise inform each other. Such interaction or interaction may be considered to enhance or deepen the self-monitoring capabilities of the scientific instrument 302.

[0122] As a non-limiting example, the tuning operation 802 can be performed after or in succession to the diagnostic check 502, such that the tuning operation 802 can be viewed as an automated attempt to repair, remedy, or correct any problems (if any) revealed by the diagnostic check 502. For example, as described above, the check component 318 can perform the diagnostic check 502 in response to detecting the idle time period 402. In various cases, the detection component 318 can perform the tuning operation 802 on a particular component hardware of the chromatograph 304 or mass spectrometer 306 in response to the diagnostic check 502 indicating that the particular component hardware is not operating properly, in an attempt to improve such non-operation (e.g., if the diagnostic check 502 indicates that the ion detector of the mass spectrometer 306 is operating outside of its defined tolerances, the tuning operation 802 can involve tuning or calibrating the gain, resolution, or sensitivity of the ion detector in an attempt to correct such non-operation).

[0123] As another non-limiting example, the tuning operation 802 can precede or be preceded by the diagnostic check 502, such that the diagnostic check 502 can be considered an automatic verification or validation of the tuning operation 802. For example, in various aspects, the check component 318 can perform the tuning operation 802 in response to detecting the idle time period 402. In various cases, the check component 318 can perform the diagnostic check 502 in response to the completion of the tuning operation 802. If the diagnostic check 502 indicates that the chromatograph 304 or the mass spectrometer 306 is operating normally, the check component 318 can conclude or determine that the tuning operation 802 is successful or can otherwise be trusted. Conversely, if the diagnostic check 502 instead indicates that the chromatograph 304 or mass spectrometer 306 is not operating properly, the detection component 318 can conclude or determine that the tuning operation 802 was unsuccessful or otherwise cannot be trusted (e.g., the tuning operation 802 can calibrate the resolution of an ion detector of the mass spectrometer 306; if the diagnostic check 502 indicates that an ion focusing lens of the mass spectrometer 306 was electrically disconnected during such calibration, such calibration may have been discarded or otherwise negatively affected by such electrical disconnection).

[0124] As yet another non-limiting example, the tuning operation 802 may precede or precede the diagnostic check 502, such that the diagnostic check 502 may be viewed as an automated search for potential causes of any tuning irregularities. For example, in various aspects, the check component 318 may perform the tuning operation 802 in response to detecting the idle time period 402. In various cases, it is assumed that an anomaly is encountered during the tuning operation 802. In other words, it is assumed that the chromatograph 304 or the mass spectrometer 306 exhibits any abnormal, strange, or otherwise unexpected behavior during the tuning operation 802. In various aspects, the check component 318 may perform the diagnostic check 502 in response to such anomaly. If the diagnostic check 502 indicates that particular component hardware of the chromatograph 304 or mass spectrometer 306 is not operating properly, the detection component 318 can conclude or determine that damage or degradation of the particular component hardware caused or otherwise contributed to the anomaly that occurred during the tuning operation 802 (e.g., during the tuning operation 802, a flat detector gain curve may be encountered, but a polynomial detector gain curve may be expected; if the diagnostic check 502 indicates that the ion focusing lens of the mass spectrometer 306 is electrically disconnected, it can be concluded that such electrical disconnection at least partially causes the flat detector gain curve).

[0125] Figures 9 to 14 Flowcharts are shown of example non-limiting computer-implemented methods 900 , 1100 , and 1300 that can be used in conjunction with tuning operations to facilitate idle triggered diagnostics according to one or more embodiments described herein.

[0126] First, consider Figures 9 and 10 In various cases, the diagnostic system 308 can facilitate the computer-implemented method 900.

[0127] In various embodiments, action 902 can include measuring, by a scientific instrument (e.g., via 316 mounted on 302) including a mass spectrometer (e.g., 306) and a chromatograph (e.g., 304), a temperature indicated by a temperature sensor (e.g., 404) of the chromatograph or a time indicated by a clock (e.g., 306) of the mass spectrometer.

[0128] In various aspects, act 904 may include determining, by the scientific instrument (e.g., via 316 installed on 302), whether the temperature or time indicates that the scientific instrument is in an idle time period (e.g., 402). If not (e.g., if the temperature or time does not indicate an idle time period), the computer-implemented method 900 may return to act 902. If yes (e.g., if the temperature or time does indicate an idle time period), the computer-implemented method 900 may proceed to act 906.

[0129] In various examples, act 906 can include performing a diagnostic check (eg, 502 ) on component hardware (eg, 324 or 322 ) of a mass spectrometer or chromatograph by a scientific instrument (eg, via 318 mounted on 302 ).

[0130] In various cases, act 908 may include determining, by the scientific instrument (e.g., via 320 installed on 302), whether the diagnostic check indicates that the component hardware is not operating correctly. If not (e.g., if the component hardware is correct or operating normally), the computer-implemented method 900 may return to act 902. If yes (e.g., if the component hardware is not operating correctly or operating normally), the computer-implemented method 900 may proceed to act 910.

[0131] In various aspects, act 910 may include determining, by the scientific instrument (e.g., via 318 installed on 302), whether the component hardware has undergone a tuning operation since the execution of the diagnostic check (e.g., 802). If not (e.g., if the component hardware has not undergone a tuning operation since the execution of the diagnostic check), the computer-implemented method 900 may proceed to act 912. If yes (e.g., if the component hardware has undergone a tuning operation since the execution of the diagnostic check), the computer-implemented method 900 may proceed to act 916.

[0132] In various examples, act 912 can include performing a tuning operation on component hardware by a scientific instrument (eg, via 318 mounted on 302 ).

[0133] In various cases, act 914 may include returning to act 906 .

[0134] In various aspects, action 916 may include sending or presenting, by the scientific instrument (e.g., via 320 mounted on 302), a notification indicating that the tuning operation was unsuccessful (e.g., did not successfully eliminate any abnormal operation detected by the diagnostic checks) and also indicating that maintenance of the component hardware is required.

[0135] Next, consider Figure 11 to Figure 12 In various cases, the diagnostic system 308 can facilitate the computer-implemented method 1100 .

[0136] In various embodiments, action 1102 can include measuring, by a scientific instrument (e.g., via 316 mounted on 302) including a mass spectrometer (e.g., 306) and a chromatograph (e.g., 304), a temperature indicated by a temperature sensor (e.g., 404) of the chromatograph or a time indicated by a clock (e.g., 306) of the mass spectrometer.

[0137] In various aspects, act 1104 may include determining, by the scientific instrument (e.g., via 316 installed on 302), whether the temperature or time indicates that the scientific instrument is in an idle time period (e.g., 402). If not (e.g., if the temperature or time does not indicate an idle time period), the computer-implemented method 1100 may return to act 1102. If yes (e.g., if the temperature or time does indicate an idle time period), the computer-implemented method 1100 may proceed to act 1106.

[0138] In various examples, act 1106 can include performing a tuning operation (eg, 802 ) on component hardware (eg, 324 or 322 ) of a mass spectrometer or chromatograph by a scientific instrument (eg, via 318 mounted on 302 ).

[0139] In various cases, act 1108 may include performing a diagnostic check (e.g., 502) on component hardware (e.g., 324 or 322) of a mass spectrometer or chromatograph by a scientific instrument (e.g., via 318 mounted on 302) and after completing a tuning operation.

[0140] In various aspects, act 1110 may include determining, by the scientific instrument (e.g., via 320 installed on 302), whether the diagnostic check indicates that the component hardware is not operating correctly. If not (e.g., if the component hardware is correct or operating normally), the computer-implemented method 1100 may return to act 1102 as indicated by reference numeral 1112. If yes (e.g., if the component hardware is not operating correctly or operating normally), the computer-implemented method 1100 may proceed to act 1114.

[0141] In various instances, action 1114 may include sending or presenting, by the scientific instrument (e.g., via 320 installed on 302), a notification indicating that the tuning operation cannot be trusted (e.g., may have been thrown off by malfunctioning of component hardware) and further indicating that maintenance is required on the component hardware.

[0142] Now, consider Figure 13 to Figure 14 In various cases, diagnostic system 308 can facilitate computer-implemented method 1300 .

[0143] In various embodiments, action 1302 can include measuring, by a scientific instrument (e.g., via 316 mounted on 302) including a mass spectrometer (e.g., 306) and a chromatograph (e.g., 304), a temperature indicated by a temperature sensor (e.g., 404) of the chromatograph or a time indicated by a clock (e.g., 306) of the mass spectrometer.

[0144] In various aspects, act 1304 may include determining, by the scientific instrument (e.g., via 316 installed on 302), whether the temperature or time indicates that the scientific instrument is in an idle time period (e.g., 402). If not (e.g., if the temperature or time does not indicate an idle time period), the computer-implemented method 1300 may return to act 1302. If yes (e.g., if the temperature or time does indicate an idle time period), the computer-implemented method 1300 may proceed to act 1306.

[0145] In various examples, act 1306 can include performing a tuning operation (eg, 802 ) of component hardware (eg, 324 or 322 ) of a mass spectrometer or chromatograph by a scientific instrument (eg, via 318 mounted on 302 ).

[0146] In various cases, act 1308 may include determining, by the scientific instrument (e.g., via 318 mounted on 302), whether an anomaly (e.g., an irregularly shaped tuning curve) was encountered during the tuning operation. If not (e.g., if no anomaly was encountered), the computer-implemented method 1300 may return to act 1302. If yes (e.g., if an anomaly was encountered), the computer-implemented method 1300 may proceed to act 1310.

[0147] In various aspects, act 1310 may include performing a diagnostic check (eg, 502) of component hardware (eg, 324 or 322) of a mass spectrometer or chromatograph by a scientific instrument (eg, via 318 mounted on 302).

[0148] In various aspects, act 1312 may include determining, by the scientific instrument (e.g., via 320 installed on 302), whether the diagnostic check indicates that the component hardware is not operating correctly. If not (e.g., if the component hardware is operating correctly or properly), the computer-implemented method 1300 may proceed to act 1314. If yes (e.g., if the component hardware is not operating correctly or properly), the computer-implemented method 1300 may proceed to act 1316.

[0149] In various examples, act 1314 can include sending or presenting, by the scientific instrument (eg, via 320 installed on 302 ), a notification indicating that the anomaly occurred but that tuning operations can be trusted despite the anomaly.

[0150] In various examples, act 1316 can include sending or presenting, by the scientific instrument (eg, via 320 installed on 302 ), a notification indicating that the anomaly is caused by damage or degradation of component hardware, that the tuning operation cannot be trusted, and that maintenance of the component hardware is required.

[0151] The scientific instrument systems, methods, or techniques disclosed herein may include interaction with a human user (e.g., via a Fig.17 The user's local computing device 1720 discussed above. These interactions may include providing information to the user (e.g., about scientific instruments such as Fig.17 information about the operation of a scientific instrument such as a scientific instrument 1710, information about samples analyzed or other tests or measurements performed by the scientific instrument, information retrieved from a local or remote database, or other information) or provide the user with the option of inputting commands (e.g., controlling a scientific instrument such as Fig.17 In some embodiments, these interactions may be performed through a graphical user interface (GUI) that includes a display device (e.g., a graphical user interface such as a display device such as a display device such as a computer program product such as a computer program product, or a display device such as a computer program product, ... such as a computer program product, or a display device such as a computer program product, such as a computer program product, such as a computer program product, and a display device such as a computer program product, such as a computer program product, and a display device such as Fig.16 1610) that provides output to a user and / or prompts a user to provide input (e.g., via a display device 1610 discussed herein). Fig.16 Other I / O devices 1612 discussed include one or more input devices such as a keyboard, mouse, trackpad, or touch screen). The scientific instrument systems, methods, or techniques disclosed herein may include any suitable GUI for interacting with a user.

[0152] Fig.15 An example graphical user interface 1500 (hereinafter referred to as "GUI 1500") that can be used to perform some or all of the supporting methods or techniques disclosed herein according to various embodiments is depicted. In various aspects, GUI 1500 can be provided in a scientific instrument support system (e.g., as described herein with reference to Fig.17 A computing device (e.g., a scientific instrument support system 1700 discussed herein) Fig.16 Any suitable electronic display (e.g., the computing device 1600 discussed herein) Fig.16 The user or technician may use any suitable input device (e.g., the display device 1610 discussed herein) to input the content of the display device 1610. Fig.16 Any other I / O devices 1612 discussed) and input technologies (e.g., cursor movement, motion capture, facial recognition, gesture detection, voice recognition, button activation, etc.) interact with the GUI 1500.

[0153] GUI 1500 may include a data display area 1502 , a data analysis area 1504 , a scientific instrument control area 1506 , and a settings area 1508 . Fig.16The specific number and arrangement of regions depicted in GUI 1500 is illustrative only, and any number and arrangement of regions including any desired characteristics may be included in other embodiments of GUI 1500.

[0154] Data display area 1502 can display data generated by scientific instruments (e.g., Fig.17 For example, the data display area 1502 can display any of one or more measured ion spectra 604 or diagnostic determinations 606.

[0155] Data analysis area 1504 can display any suitable data analysis results (e.g., the results of analyzing the data shown in data display area 1502 or other data). For example, data analysis area 1504 can display any electronic notifications generated by results component 320. In some embodiments, data display area 1502 and data analysis area 1504 can be combined in GUI 1500 (e.g., including both the data output from the scientific instrument and some analysis of the data in a common graphic or area).

[0156] The scientific instrument control area 1506 may include options that allow a user or technician to control scientific instruments (e.g., Fig.17 For example, the scientific instrument control area 1506 may include configurable parameters that manage the operation of such scientific instruments (e.g., configurable parameters that manage voltage or current to the scientific instrument, manage the internal temperature of the scientific instrument, or manage the flow rate of a fluid to the scientific instrument).

[0157] The settings area 1508 may include any features or functions that allow a user or technician to control the GUI 1500 (or other GUIs) or to perform common computing operations with respect to the data display area 1502 and the data analysis area 1504 (e.g., saving data to a storage device (such as a storage device such as that described herein)). Fig.16 The options of discussing storage device 1604), sending data to another user, marking data).

[0158] As described above, the scientific instrument module 102 may be implemented by one or more computing devices. Fig.16 1 is a block diagram of a computing device 1600 that can perform some or all of the scientific instrument methods or techniques disclosed herein, according to various embodiments. In some embodiments, the scientific instrument module 102 can be implemented by a single instance of the computing device 1600 or by multiple instances of the computing device 1600. In addition, as described below, the computing device 1600 (or multiple instances thereof) that implements the scientific instrument module 102 can be Fig.17Part of one or more of scientific instrument 1710, user local computing device 1720, service local computing device 1730, or remote computing device 1740.

[0159] Computing device 1600 is shown as having multiple components, but any one or more of these components may be omitted or duplicated as appropriate for the application and setting. In some embodiments, some or all of the components included in computing device 1600 may be attached to one or more motherboards and enclosed in a housing (e.g., comprising plastic, metal, or other materials). In some embodiments, some of these components may be fabricated onto a single system on a chip (SoC) (e.g., an SoC may include one or more instances of processing device 1602 and one or more instances of storage device 1604). Additionally, in various embodiments, computing device 1600 may omit the processor or the processor. Fig.16 One or more of the components shown may be included, but may include interface circuitry (not shown) for coupling to one or more omitted components using any suitable interface (e.g., a universal serial bus (USB) interface, a high-definition multimedia interface (HDMI) interface, a controller area network (CAN) interface, a serial peripheral interface (SPI) interface, an Ethernet interface, a wireless interface, or any other suitable interface). For example, computing device 1600 may omit display device 1610, but may include display device interface circuitry (e.g., a connector and driver circuitry) to which display device 1610 may be coupled.

[0160] Computing device 1600 may include processing device 1602 (e.g., one or more processing devices). As used herein, the term "processing device" may refer to any device or portion of a device that processes electronic data from a register or memory to convert the electronic data into other electronic data that can be stored in the register or memory. Processing device 1602 may include one or more digital signal processors (DSPs), application specific integrated circuits (ASICs), central processing units (CPUs), graphics processing units (GPUs), cryptographic processors (specialized processors that execute cryptographic algorithms in hardware), server processors, or any other suitable processing devices.

[0161] The computing device 1600 may include a storage device 1604 (e.g., one or more storage devices). The storage device 1604 may include one or more memory devices, such as a random access memory (RAM) (e.g., a static RAM (SRAM) device, a magnetic RAM (MRAM) device, a dynamic RAM (DRAM) device, a resistive RAM (RRAM) device, or a conductive bridge RAM (CBRAM) device), a hard drive-based memory device, a solid-state memory device, a network drive, a cloud drive, or any combination of memory devices. In some embodiments, the storage device 1604 may include a memory that shares a die with the processing device 1602. In such embodiments, the memory may be used as a cache memory and may include, for example, an embedded dynamic random access memory (eDRAM) or a spin-transfer torque magnetic random access memory (STT-MRAM). In some embodiments, the storage device 1604 may include a non-transitory computer-readable medium having instructions thereon that, when executed by one or more processing devices (e.g., the processing device 1602), cause the computing device 1600 to perform any appropriate method or portion of the methods disclosed herein.

[0162] The computing device 1600 may include an interface device 1606 (e.g., one or more instances of the interface device 1606). The interface device 1606 may include one or more communication chips, connectors, or other hardware and software to manage communications between the computing device 1600 and other computing devices. For example, the interface device 1606 may include circuitry for managing wireless communications for transmitting data to and from the computing device 1600. The term "wireless" and its derivatives may be used to describe circuits, devices, systems, methods, techniques, or communication channels that can transmit data through a non-solid medium using modulated electromagnetic radiation. The term does not imply that the associated device does not contain any wires, although in some embodiments it may not contain any wires. The circuitry included in the interface device 1606 for managing wireless communications may implement any of a variety of wireless standards or protocols, including, but not limited to, Institute of Electrical and Electronics Engineers (IEEE) standards, including Wi-Fi (IEEE 802.11 series), IEEE 802.16 standards (e.g., IEEE 802.16-2005 amendments), Long Term Evolution (LTE) projects, and any amendments, updates, and / or revisions (e.g., Advanced LTE projects, Ultra Mobile Broadband (UMB) projects (also known as "3GPP2")). In some embodiments, the circuitry included in the interface device 1606 for managing wireless communications may operate in accordance with a Global System for Mobile Communications (GSM), General Packet Radio Service (GPRS), Universal Mobile Telecommunications System (UMTS), High Speed ​​Packet Access (HSPA), Evolved HSPA (E-HSPA), or LTE network. In some embodiments, the circuitry included in the interface device 1606 for managing wireless communications may operate in accordance with Enhanced Data GSM Evolution (EDGE), GSM EDGE Radio Access Network (GERAN), Universal Terrestrial Radio Access Network (UTRAN), or Evolved UTRAN (E-UTRAN). In some embodiments, the circuitry included in the interface device 1606 for managing wireless communications may operate in accordance with Code Division Multiple Access (CDMA), Time Division Multiple Access (TDMA), Digital Enhanced Cordless Telecommunications (DECT), Evolution Data Optimized (EV-DO) and its derivatives, and any other wireless protocols designated as 3G, 4G, 5G and higher. In some embodiments, the interface device 1606 may include one or more antennas (e.g., one or more antenna arrays) to receive and / or transmit wireless communications.

[0163] In some embodiments, interface device 1606 may include a circuit for managing wired communication, such as electrical communication protocol, optical communication protocol or any other suitable communication protocol. For example, interface device 1606 may include a circuit supporting communication according to Ethernet technology. In some embodiments, interface device 1606 may support both wireless communication and wired communication, or may support multiple wired communication protocols or multiple wireless communication protocols. For example, a first group of circuits of interface device 1606 may be dedicated to shorter distance wireless communication such as Wi-Fi or Bluetooth, and a second group of circuits of interface device 1606 may be dedicated to longer distance wireless communication such as global positioning system (GPS), EDGE, GPRS, CDMA, WiMAX, LTE, EV-DO, etc. In some embodiments, a first group of circuits of interface device 1606 may be dedicated to wireless communication, and a second group of circuits of interface device 1606 may be dedicated to wired communication.

[0164] Computing device 1600 may include battery / power circuitry 1608. Battery / power circuitry 1608 may include one or more energy storage devices (e.g., batteries or capacitors) or circuitry for coupling components of computing device 1600 to an energy source separate from computing device 1600 (e.g., AC line power).

[0165] Computing device 1600 may include display device 1610 (eg, multiple display devices). Display device 1610 may include any visual indicator, such as a heads-up display, a computer monitor, a projector, a touch screen display, a liquid crystal display (LCD), a light emitting diode display, or a flat panel display.

[0166] The computing device 1600 may include other input / output (I / O) devices 1612. For example, the other I / O devices 1612 may include one or more audio output devices (e.g., speakers, headphones, earbuds, alarms), one or more audio input devices (e.g., microphones or microphone arrays), a positioning device (e.g., a GPS device that communicates with a satellite-based system to receive the location of the computing device 1600), an audio codec, a video codec, a printer, a sensor (e.g., a thermocouple or other temperature sensor, a humidity sensor, a pressure sensor, a vibration sensor, an accelerometer, a gyroscope), an image capture device such as a camera, a keyboard, a cursor control device such as a mouse, a stylus, a trackball, or a trackpad, a barcode reader, a quick response (QR) code reader, or a radio frequency identification (RFID) reader.

[0167] The computing device 1600 can have any suitable form factor suitable for its applications and settings, such as a handheld or mobile computing device (e.g., a cell phone, a smart phone, a mobile Internet device, a tablet computer, a laptop, a notebook computer, an ultrabook computer, a personal digital assistant (PDA), an ultra mobile personal computer), a desktop computing device, or a server computing device or other networked computing component.

[0168] One or more computing devices implementing any of the scientific instrument modules, methods, or techniques disclosed herein may be part of a scientific instrument support system. Fig.17 1 is a block diagram of an example scientific instrument support system 1700 in which some or all of the scientific instrument support methods disclosed herein may be performed, according to various embodiments. The scientific instrument modules, methods, or techniques disclosed herein (e.g., scientific instrument module 102, computer-implemented method 200, diagnostic system 308, computer-implemented method 700, computer-implemented method 900, computer-implemented method 1100, computer-implemented method 1300) may be implemented by one or more of a scientific instrument 1710, a user local computing device 1720, a service local computing device 1730, or a remote computing device 1740 of the scientific instrument support system 1700.

[0169] Any of the scientific instrument 1710, the user local computing device 1720, the service local computing device 1730, or the remote computing device 1740 may include any implementation of the computing device 1600, and any of the scientific instrument 1710, the user local computing device 1720, the service local computing device 1730, or the remote computing device 1740 may take the form of any appropriate implementation of the implementation of the computing device 1600.

[0170] The scientific instrument 1710, the user local computing device 1720, the service local computing device 1730, or the remote computing device 1740 may each include a processing device 1702, a storage device 1704, and an interface device 1706. The processing device 1702 may take any suitable form, including any form of the processing device 1602, and the processing devices 1702 included in different devices of the scientific instrument 1710, the user local computing device 1720, the service local computing device 1730, or the remote computing device 1740 may take the same form or different forms. The storage device 1704 may take any suitable form, including any form of the storage device 1604, and the storage devices 1704 included in different devices of the scientific instrument 1710, the user local computing device 1720, the service local computing device 1730, or the remote computing device 1740 may take the same form or different forms. The interface device 1706 may take any suitable form, including any form of interface device 1606, and the interface device 1706 included in different devices of the scientific instrument 1710, the user local computing device 1720, the service local computing device 1730, or the remote computing device 1740 may take the same form or different forms.

[0171] The scientific instrument 1710, the user local computing device 1720, the service local computing device 1730, and the remote computing device 1740 may communicate with other elements of the scientific instrument support system 1700 via a communication path 1708. The communication path 1708 may communicatively couple an interface device 1706 of different ones of the elements of the scientific instrument support system 1700, as shown, and may be a wired or wireless communication path (e.g., according to any of the communication technologies discussed herein with reference to the interface device 1606). Fig.17 The particular scientific instrument support system 1700 depicted in FIG. 17 includes a communication path between each pair of devices in the scientific instrument 1710, the user local computing device 1720, the service local computing device 1730, and the remote computing device 1740, but this “all-connected” implementation is merely illustrative, and in various embodiments, various communication paths in the communication paths 1708 may not be present. For example, in some embodiments, the service local computing device 1730 may lack a direct communication path 1708 between its interface device 1706 and the interface device 1706 of the scientific instrument 1710, and may instead communicate with the scientific instrument 1710 via the communication path 1708 between the service local computing device 1730 and the user local computing device 1720, and the communication path 1708 between the user local computing device 1720 and the scientific instrument 1710.

[0172] Scientific instrument 1710 may include any suitable scientific instrument, such as scientific instrument 302 .

[0173] The user-local computing device 1720 can be a computing device local to a user of the scientific instrument 1710 (e.g., according to any embodiment of the computing device 1600). In some embodiments, the user-local computing device 1720 can also be local to the scientific instrument 1710, but this is not necessarily the case; for example, a user-local computing device 1720 in a user's home or office can be remote from the scientific instrument 1710, but in communication with the scientific instrument so that the user can use the user-local computing device 1720 to control or access data from the scientific instrument 1710. In some embodiments, the user-local computing device 1720 can be a laptop, a smartphone, or a tablet device. In some embodiments, the user-local computing device 1720 can be a portable computing device.

[0174] The service local computing device 1730 can be a computing device that is local to the entity servicing the scientific instrument 1710 (e.g., according to any embodiment of the computing device 1600). For example, the service local computing device 1730 can be local to the manufacturer of the scientific instrument 1710 or to a third-party service company. In some embodiments, the service local computing device 1730 can communicate with the scientific instrument 1710, the user local computing device 1720, or the remote computing device 1740 (e.g., via a direct communication path 1708 or via multiple "indirect" communication paths 1708, as described above) to receive data about the operation of the scientific instrument 1710, the user local computing device 1720, or the remote computing device 1740 (e.g., self-test results of the scientific instrument 1710, calibration coefficients used by the scientific instrument 1710, measurements of sensors associated with the scientific instrument 1710). In some embodiments, the service local computing device 1730 can communicate with the scientific instrument 1710, the user local computing device 1720, or the remote computing device 1740 (e.g., via a direct communication path 1708 or via multiple "indirect" communication paths 1708, as described above) to transfer data to the scientific instrument 1710, the user local computing device 1720, or the remote computing device 1740 (e.g., to update programming instructions (such as firmware) in the scientific instrument 1710, to initiate execution of a test or calibration sequence in the scientific instrument 1710, to update programming instructions (such as software) in the user local computing device 1720 or the remote computing device 1740). A user of the scientific instrument 1710 can utilize the scientific instrument 1710 or the user local computing device 1720 to communicate with the service local computing device 1730 to report problems with the scientific instrument 1710 or the user local computing device 1720, to request a visit from a technician to improve the operation of the scientific instrument 1710, to order consumables or spare parts associated with the scientific instrument 1710, or for other purposes.

[0175] Remote computing device 1740 can be a computing device remote from scientific instrument 1710 or user local computing device 1720 (e.g., according to any of the embodiments of computing device 1600 discussed herein). In some embodiments, remote computing device 1740 can be included in a data center or other large-scale server environment. In some embodiments, remote computing device 1740 can include network attached storage (e.g., as part of storage device 1704). Remote computing device 1740 can store data generated by scientific instrument 1710, perform analysis of data generated by scientific instrument 1710 (e.g., according to programming instructions), facilitate communication between user local computing device 1720 and scientific instrument 1710, or facilitate communication between service local computing device 1730 and scientific instrument 1710.

[0176] In some embodiments, the Fig.17 One or more of the elements of the scientific instrument support system 1700 shown in FIG. In addition, in some embodiments, there may be Fig.17 1700. For example, the scientific instrument support system 1700 may include multiple user-local computing devices 1720 (e.g., different user-local computing devices 1720 associated with different users or located in different locations). As another example, the scientific instrument support system 1700 may include multiple scientific instruments 1710, all of which are in communication with a service local computing device 1730 and / or a remote computing device 1740; in such embodiments, the service local computing device 1730 may monitor these multiple scientific instruments 1710, and the service local computing device 1730 may cause updates or other information to be "broadcasted" to multiple scientific instruments 1710 simultaneously. Different scientific instruments 1710 in the scientific instrument support system 1700 may be located near each other (e.g., in the same room) or far away from each other (e.g., on different floors of a building, in different buildings, in different cities, etc.). In some embodiments, the scientific instrument 1710 may be connected to an Internet of Things (IoT) stack that allows command and control of the scientific instrument 1710 through web-based applications, virtual or augmented reality applications, mobile applications, or desktop applications. Any of these applications may be accessed by a user operating a user-local computing device 1720 that communicates with the scientific instrument 1710 through an intermediary remote computing device 1740. In some embodiments, the scientific instrument 1710 may be sold by a manufacturer along with one or more associated user-local computing devices 1720 as part of a local scientific instrument computing unit 1712.

[0177] In some embodiments, different scientific instruments in the scientific instruments 1710 included in the scientific instrument support system 1700 may be different types of scientific instruments 1710; for example, one scientific instrument 1710 may be a mass spectrometer, while another scientific instrument 1710 may be a chromatograph. In some such embodiments, the remote computing device 1740 or the user's local computing device 1720 may combine data from different types of scientific instruments 1710 included in the scientific instrument support system 1700.

[0178] In various instances, the machine learning algorithm or model can be viewed in any suitable manner to facilitate any suitable aspect described herein. In order to facilitate some of the above-mentioned machine learning aspects of various embodiments, consider the following discussion of artificial intelligence (AI). Various embodiments described herein can use artificial intelligence to facilitate automating one or more features or functions. These components can use various AI-based schemes to perform various embodiments / examples disclosed herein. In order to provide or assist in many determinations described herein (e.g., determine, ascertain, infer, calculate, predict, prognose, estimate, derive, forecast, detect, calculate), the components described herein can check the entirety or subset of the data to which they are authorized to access, and can provide a set of observations such as captured via events or data to reason or determine the state of the system or environment. For example, determination can be used to identify a specific context or action, or a probability distribution of a state can be generated. These determinations can be probabilistic; that is, a probability distribution of a state of interest is calculated based on consideration of data and events. Determination can also refer to a technique for composing a higher-level event from a set of events or data.

[0179] Such determinations can result in constructing new events or actions from a set of observed events or stored event data, regardless of whether the events are closely related in time, and whether the events and data come from one or several event and data sources. The components disclosed herein can employ various classification (explicitly trained (e.g., via training data) and implicitly trained (e.g., via observed behavior, preferences, historical information, receiving external information, etc.)) schemes or systems (e.g., support vector machines, neural networks, expert systems, Bayesian belief networks, fuzzy logic, data fusion engines, etc.), and perform automatic or determined actions related to the claimed subject matter. Thus, the classification scheme or system can be used to automatically learn and perform multiple functions, actions, or determinations.

[0180] The classifier can take the input attribute vector z=(z1,z2,z3,z4,z n) is mapped to the confidence that the input belongs to a class, such as f(z)=confidence(class). This type of classification can use probabilistic or statistical analysis (for example, decomposing into analytical utility and cost) to determine the actions to be automatically performed. Support vector machine (SVM) can be an example of a classifier that can be used. SVM operates by finding a hypersurface in the space of possible inputs, where the hypersurface attempts to separate triggering criteria from non-triggering events. Intuitively, this makes the classification correct for test data that is close to but not identical to the training data. Other directed and undirected model classification methods include, for example, naive Bayes, Bayesian networks, decision trees, neural networks, fuzzy logic models, or probabilistic classification models that provide different independent patterns, any of which can be used. The classification used in this article also includes statistical regression for developing priority models.

[0181] To provide additional context for the various embodiments described herein, Fig.18 The following discussion is intended to provide a brief, general description of a suitable computing environment 1800 in which various embodiments described herein may be implemented. Although the embodiments have been described above in the general context of computer-executable instructions that may be executed on one or more computers, those skilled in the art will recognize that the embodiments may also be implemented in conjunction with other program modules or as a combination of hardware and software.

[0182] Generally, program modules include routines, programs, components, data structures, etc. that perform specific tasks or implement specific abstract data types. In addition, those skilled in the art will appreciate that the methods of the present invention can be practiced with other computer system configurations, including single-processor or multi-processor computer systems, minicomputers, mainframe computers, Internet of Things (IoT) devices, distributed computing systems, and personal computers, handheld computing devices, microprocessor-based or programmable consumer electronics, etc., each of which can be operably coupled to one or more associated devices.

[0183] The illustrated embodiments of the embodiments herein may also be practiced in distributed computing environments, where certain tasks are performed by remote processing devices that are linked through a communications network. In a distributed computing environment, program modules may be located in both local and remote memory storage devices.

[0184] Computing devices typically include various media, which may include computer-readable storage media, machine-readable storage media, or communication media, the two terms being used differently from each other herein as follows. Computer-readable storage media or machine-readable storage media can be any available storage media that can be accessed by a computer, and include volatile and non-volatile media, removable and non-removable media. By way of example and not limitation, computer-readable storage media or machine-readable storage media can be implemented in conjunction with any method or technology for storing information, such as computer-readable or machine-readable instructions, program modules, structured data, or unstructured data.

[0185] Computer-readable storage media may include, but are not limited to, random access memory (RAM), read-only memory (ROM), electrically erasable programmable read-only memory (EEPROM), flash memory or other memory technology, compact disc read-only memory (CD ROM), digital versatile disc (DVD), Blu-ray disc (BD) or other optical disc storage, magnetic cassettes, magnetic tape, magnetic disk storage or other magnetic storage devices, solid-state drives or other solid-state storage devices, or other tangible or non-transitory media that can be used to store the desired information. In this regard, the terms "tangible" or "non-transitory" as applied to storage, memory, or computer-readable media herein should be understood as excluding only the propagation of transient signals themselves as a modifier, and not as a disclaimer of all standard storage, memory, or computer-readable media that propagate not only transient signals themselves.

[0186] Computer-readable storage media may be accessed by one or more local or remote computing devices, such as via access requests, queries, or other data retrieval protocols, for various operations regarding the information stored by the media.

[0187] Communication media typically includes computer readable instructions, data structures, program modules, or other structured or unstructured data in a data signal (such as a modulated data signal, such as a carrier wave or other transport mechanism), and includes any information delivery or transmission media. The term "modulated data signal" or signal refers to a signal whose one or more characteristics are set or changed so as to encode information in one or more signals. By way of example, but not limitation, communication media include wired media (such as a wired network or direct-wired connection) and wireless media (such as acoustic, RF, infrared and other wireless media).

[0188] Reference again Fig.18, an example environment 1800 for implementing various embodiments of various aspects described herein includes a computer 1802, which includes a processing unit 1804, a system memory 1806, and a system bus 1808. The system bus 1808 couples system components including, but not limited to, the system memory 1806 to the processing unit 1804. The processing unit 1804 can be any of a variety of commercially available processors. Dual microprocessors and other multi-processor architectures can also be used as the processing unit 1804.

[0189] The system bus 1808 may be any of several types of bus structures, which may further interconnect to a memory bus (with or without a memory controller), a peripheral bus, and a local bus using any of a variety of commercially available bus architectures. The system memory 1806 includes ROM 1810 and RAM 1812. A basic input / output system (BIOS) may be stored in a nonvolatile memory such as ROM, erasable programmable read-only memory (EPROM), EEPROM, wherein the BIOS contains the basic routines that help transfer information between elements within the computer 1802, such as during startup. The RAM 1812 may also include high-speed RAM, such as static RAM for caching data.

[0190] The computer 1802 also includes an internal hard disk drive (HDD) 1814 (e.g., EIDE, SATA), one or more external storage devices 1816 (e.g., a magnetic floppy disk drive (FDD) 1816, a memory stick or flash drive reader, a memory card reader, etc.), and a drive 1820, such as a solid-state drive, an optical drive, which can read or write from a disk 1822 such as a CD-ROM disk, a DVD, a BD, etc. Alternatively, in the case of a solid-state drive, the disk 1822 will not be included unless it is separate. Although the internal HDD 1814 is shown as being located within the computer 1802, the internal HDD 1814 can also be configured for external use in a suitable chassis (not shown). In addition, although not shown in the environment 1800, a solid-state drive (SSD) can be used to supplement or replace the HDD 1814. The HDD 1814, external storage device 1816, and drive 1820 can be connected to the system bus 1808 via a HDD interface 1824, an external storage interface 1826, and a drive interface 1828, respectively. The interface 1824 for external drive implementations may include at least one or both of Universal Serial Bus (USB) and Institute of Electrical and Electronics Engineers (IEEE) 1394 interface technologies. Other external drive connection technologies are within the contemplation of the embodiments described herein.

[0191] The drives and their associated computer-readable storage media provide non-volatile storage of data, data structures, computer-executable instructions, etc. For the computer 1802, the drives and storage media accommodate the storage of any data in a suitable digital format. Although the above description of computer-readable storage media refers to corresponding types of storage devices, it should be understood by those skilled in the art that other types of storage media (whether currently existing or developed in the future) that can be read by a computer can also be used in the example operating environment, and further, any such storage media can contain computer-executable instructions for performing the methods described herein.

[0192] A number of program modules may be stored in the drives and RAM 1812, including an operating system 1830, one or more applications 1832, other program modules 1834, and program data 1836. All or portions of the operating system, applications, modules, or data may also be cached in RAM 1812. The systems and methods described herein may be implemented using various commercially available operating systems or combinations of operating systems.

[0193] Computer 1802 may optionally include emulation technology. For example, a virtual machine hypervisor (not shown) or other intermediary may emulate the hardware environment for operating system 1830, and the emulated hardware may optionally be different from the hardware environment of the operating system 1830. Fig.18 . In such embodiments, operating system 1830 may include one of a plurality of virtual machines (VMs) hosted at computer 1802. In addition, operating system 1830 may provide a runtime environment, such as a Java runtime environment or a .NET framework, for application 1832. A runtime environment is a consistent execution environment that allows application 1832 to run on any operating system that includes a runtime environment. Similarly, operating system 1830 may support containers, and application 1832 may be in the form of a container, which is a lightweight, independent, executable software package that includes, for example, the code, runtime, system tools, system libraries, and settings of an application.

[0194] In addition, the computer 1802 can be enabled with a security module such as a trusted processing module (TPM). For example, using a TPM, the boot component hashes the next time boot component before loading the next boot component and waits for the result to match the security value. This process can be performed at any layer in the code execution stack of the computer 1802, for example, applied at the application execution level or the operating system (OS) kernel level, thereby achieving security at any level of code execution.

[0195] A user may enter commands and information into the computer 1802 through one or more wired / wireless input devices (e.g., a keyboard 1838, a touch screen 1840, and a pointing device such as a mouse 1842). Other input devices (not shown) may include a microphone, an infrared (IR) remote control, a radio frequency (RF) remote control or other remote control, a joystick, a virtual reality controller or virtual reality headset, a game controller, a stylus, an image input device (e.g., a camera), a gesture sensor input device, a visual movement sensor input device, an emotion or facial detection device, a biometric input device (e.g., a fingerprint or iris scanner), and the like. These and other input devices are typically connected to the processing unit 1804 through an input device interface 1844 that may be coupled to the system bus 1808, but may also be connected through other interfaces (such as a parallel port, an IEEE 1394 serial port, a game port, a USB port, an IR interface, a fingerprint or iris scanner, etc.). interface, etc.) connection.

[0196] A monitor 1846 or other type of display device may also be connected to the system bus 1808 via an interface, such as a video adapter 1848. In addition to the monitor 1846, computers typically include other peripheral output devices (not shown), such as speakers, printers, and the like.

[0197] The computer 1802 can operate in a networked environment using logical connections via wired or wireless communications to one or more remote computers, such as remote computer 1850. The remote computer 1850 can be a workstation, server computer, router, personal computer, portable computer, microprocessor-based entertainment device, peer device, or other common network node, and typically includes many or all of the elements described relative to the computer 1802, but only a memory / storage device 1852 is shown for simplicity. The depicted logical connections include wired / wireless connections to a local area network (LAN) 1854 or a larger network, such as a wide area network (WAN) 1856. Such LAN and WAN networking environments are common in offices and companies and facilitate the establishment of enterprise-wide computer networks (e.g., intranets), all of which can be connected to a global communication network (e.g., the Internet).

[0198] When used in a LAN networking environment, the computer 1802 can be connected to the local network 1854 through a wired or wireless communication network interface or adapter 1858. The adapter 1858 can facilitate wired or wireless communication to the LAN 1854, which can also include a wireless access point (AP) disposed thereon for communicating with the adapter 1858 in a wireless mode.

[0199] When used in a WAN networking environment, the computer 1802 may include a modem 1860, or may be connected to a communications server on the WAN 1856 via other means for establishing communications over the WAN 1856, such as through the Internet. The modem 1860, which may be an internal or external device and a wired or wireless device, may be connected to the system bus 1808 via the input device interface 1844. In a networked environment, program modules depicted relative to the computer 1802, or portions thereof, may be stored in the remote memory / storage device 1852. It should be appreciated that the network connections shown are examples and other means of establishing a communications link between the computers may be used.

[0200] When used in a LAN or WAN networking environment, the computer 1802 can access a cloud storage system or other network-based storage system in addition to or as an alternative to the external storage device 1816 described above, such as, but not limited to, a network virtual machine that provides one or more aspects of storage or processing of information. Generally speaking, the connection between the computer 1802 and the cloud storage system can be established through the LAN 1854 or WAN 1856, for example, by an adapter 1858 or a modem 1860, respectively. When the computer 1802 is connected to the associated cloud storage system, the external storage interface 1826 can manage the storage provided by the cloud storage system with the help of the adapter 1858 or the modem 1860, just as it manages other types of external storage. For example, the external storage interface 1826 can be configured to provide access to cloud storage sources as if those sources were physically connected to the computer 1802.

[0201] The computer 1802 is operable to communicate with any wireless device or entity that is operably arranged in wireless communication (e.g., printers, scanners, desktop or portable computers, portable data assistants, communication satellites, any equipment or location associated with a wirelessly detectable tag (e.g., kiosks, newsstands, store shelves, etc.), and telephones). This may include Wireless Fidelity (Wi-Fi) and Wireless technology. Therefore, the communication can be a predefined structure like a conventional network, or just an ad hoc communication between at least two devices.

[0202] Fig.191 is a schematic block diagram of a sample computing environment 1900 with which the disclosed subject matter can interact. The sample computing environment 1900 includes one or more clients 1910. The client 1910 can be hardware or software (e.g., a thread, a process, a computing device). The sample computing environment 1900 also includes one or more servers 1930. The server 1930 can also be hardware or software (e.g., a thread, a process, a computing device). For example, the server 1930 can accommodate threads to perform transformations by adopting one or more embodiments as described herein. One possible communication between the client 1910 and the server 1930 can be in the form of data packets suitable for transmission between two or more computer processes. The sample computing environment 1900 includes a communication framework 1950, which can be used to facilitate communication between the client 1910 and the server 1930. The client 1910 is operably connected to one or more client data repositories 1920, which can be used to store information local to the client 1910. Similarly, the server 1930 is operably connected to one or more server data repositories 1940, which can be used to store information local to the client 1930.

[0203] Various embodiments can be systems, methods, devices or computer program products at any possible level of technical detail integration. Computer program products can include computer-readable storage media having computer-readable program instructions thereon for causing a processor to execute various aspects of various embodiments. Computer-readable storage media can be tangible devices that can retain and store instructions for use by instruction execution devices. Computer-readable storage media can be, for example, but not limited to, electronic storage devices, magnetic storage devices, optical storage devices, electromagnetic storage devices, semiconductor storage devices, or any suitable combination of the foregoing. A non-exhaustive list of more specific examples of computer-readable storage media can also include the following: portable computer disks, hard disks, random access memories (RAM), read-only memories (ROM), erasable programmable read-only memories (EPROM or flash memory), static random access memories (SRAM), portable compact disc read-only memories (CD-ROM), digital versatile disks (DVD), memory sticks, floppy disks, mechanical encoding devices (such as punched cards with instructions recorded on them or raised structures in grooves) and / or any suitable combination of the above. Computer-readable storage media as used herein should not be construed as transient signals per se, such as radio waves or other freely propagating electromagnetic waves, electromagnetic waves propagating through waveguides or other transmission media (e.g., light pulses transmitted through fiber optic cables), or electrical signals transmitted through wires.

[0204] Computer-readable program instructions as described herein can be downloaded to corresponding computing / processing equipment from computer-readable storage media or downloaded to external computers or external storage devices via networks (e.g., the Internet, local area networks, wide area networks, or wireless networks).Networks can include copper transmission cables, optical transmission optical fibers, wireless transmissions, routers, firewalls, switches, gateway computers, or edge servers.Network adapter cards or network interfaces in each computing / processing equipment receive computer-readable program instructions from networks, and forward computer-readable program instructions to be stored in computer-readable storage media in corresponding computing / processing equipment.Computer-readable program instructions for performing the operation of various embodiments can be assembly instructions, instruction set architecture (ISA) instructions, machine instructions, machine-related instructions, microcodes, firmware instructions, state setting data, configuration data of integrated circuits, or source code and / or object code written in any combination of one or more programming languages ​​(including object-oriented programming languages ​​such as Smalltalk, C++, etc.) and process programming languages ​​(such as "C" programming languages ​​and / or similar programming languages). Computer readable program instructions can be executed completely on the user's computer, partially on the user's computer, as an independent software package, partially on the user's computer and partially on a remote computer, or completely on a remote computer or server. In the latter case, the remote computer can be connected to the user's computer through any type of network (including a local area network (LAN) or a wide area network (WAN)), or can be connected to an external computer (for example, using an Internet service provider through the Internet). In some embodiments, electronic circuits (including for example programmable logic circuits, field programmable gate arrays (FPGAs) or programmable logic arrays (PLA)) can be executed by utilizing the state information of computer readable program instructions to personalize the electronic circuit, so as to perform various aspects.

[0205] Various aspects are described herein with reference to flowchart illustrations or block diagrams of methods, devices (systems) and computer program products according to various embodiments.It should be understood that each frame in a flowchart illustration or block diagram and the combination of frames in a flowchart illustration or block diagram can be realized by computer-readable program instructions.These computer-readable program instructions can be provided to a processor of a general-purpose computer, a special-purpose computer or other programmable data processing device to produce a machine, so that the instructions executed by the processor of a computer or other programmable data processing device create a component for realizing the function / action specified in one or more frames of a flowchart and / or block diagram.These computer-readable program instructions can also be stored in a computer-readable storage medium, which can indicate that a computer, a programmable data processing device or other equipment operates in a particular manner, so that the computer-readable storage medium in which instructions are stored includes a manufactured product, and the manufactured product includes instructions for realizing the various aspects of the function / action specified in one or more frames of a flowchart or block diagram.Computer-readable program instructions can also be loaded onto a computer, other programmable data processing devices or other devices so that a series of operating actions are performed on a computer, other programmable devices or other devices, thereby generating a computer-implemented process, so that the instructions executed on a computer, other programmable devices or other devices realize the function / action specified in one or more frames of a flowchart or block diagram.

[0206] The flow chart and block diagram in the accompanying drawings show the possible architecture, function and operation of the system, method and computer program product according to various embodiments.In this regard, each frame in the flow chart or block diagram can represent a part of a module, segment or instruction, which includes one or more executable instructions for realizing the specified logical function.In some alternative embodiments, the function marked in the frame may not occur in the order marked in the accompanying drawings.For example, the two frames shown continuously can actually be performed substantially at the same time, or these frames can sometimes be performed in reverse order, depending on the function involved.It should also be noted that the combination of the frames in each frame of the block diagram or flow chart illustration and the block diagram or flow chart illustration can be realized by a system based on dedicated hardware that performs a specified function or action or performs a combination of dedicated hardware and computer instructions.

[0207] Although the subject matter has been described above in the general context of computer executable instructions of a computer program product running on one or more computers, it will be appreciated by those skilled in the art that the present disclosure may also or may be implemented in combination with other program modules. Typically, a program module includes routines, programs, components, data structures, etc. that perform specific tasks or implement specific abstract data types. In addition, it will be appreciated by those skilled in the art that various aspects may be practiced with other computer system configurations, including single-processor or multi-processor computer systems, micro-computing devices, mainframe computers, and computers, handheld computing devices (e.g., PDAs, phones), microprocessor-based or programmable consumer or industrial electronics, etc. The various aspects shown may also be practiced in a distributed computing environment, where tasks are performed by a remote processing device connected via a communication network. However, some (if not all) aspects of the present disclosure may be practiced on a stand-alone computer. In a distributed computing environment, a program module may be located in both a local memory storage device and a remote memory storage device.

[0208] As used in this application, the terms "component", "system", "platform", "interface", etc. may refer to or may include computer-related entities or entities related to an operating machine having one or more specific functions. The entities disclosed herein may be hardware, a combination of hardware and software, software, or software in execution. For example, a component may be, but is not limited to, a process, a processor, an object, an executable program, a thread of execution, a program, or a computer running on a processor. As an example, both an application running on a server and a server may be a component. One or more components may reside within a process or a thread of execution, and a component may be located on one computer or distributed between two or more computers. In another example, corresponding components may be executed from various computer-readable media having various data structures stored thereon. These components may communicate via local or remote processes, such as according to signals having one or more data packets (e.g., data from a component interacting with another component in a local system, a distributed system, or interacting with other systems across a network such as the Internet). As another example, a component may be a device having a specific function provided by a mechanical part operated by an electrical or electronic circuit, which is operated by a software or firmware application executed by a processor. In this case, the processor may be inside or outside the device and may execute at least a portion of the software or firmware application. As yet another example, a component can be a device that provides a particular functionality through an electronic component without mechanical parts, where the electronic component can include a processor or other means of executing software or firmware that at least partially imparts the functionality of the electronic component. In one aspect, the component can simulate the electronic component via, for example, a virtual machine within a cloud computing system.

[0209] In addition, the term "or" is intended to mean an inclusive "or" rather than an exclusive "or". That is, unless otherwise specified or clear from the context, "X uses A or B" is intended to mean any natural inclusive arrangement. That is, if X employs A; X employs B; or X employs both A and B, then "X uses A or B" is satisfied under any of the foregoing examples. As used herein, the term "and / or" is intended to have the same meaning as "or". In addition, unless otherwise specified or clear from the context that it involves a singular form, the article "one" as used in should generally be interpreted to mean "one or more". As used herein, the term "example" or "exemplary" is used to mean as an example, instance, or illustration. For the avoidance of doubt, the subject matter disclosed herein is not limited to such examples. In addition, any aspect or design described herein as "example" or "exemplary" is not necessarily to be construed as preferred or advantageous over other aspects or designs, nor is it meant to exclude equivalent exemplary structures and techniques known to those of ordinary skill in the art.

[0210] This disclosure describes non-limiting examples. For ease of description or explanation, when discussing various examples, the various parts disclosed herein use the terms "each," "each," or "all." This usage of the terms "each," "each," or "all" is non-limiting. In other words, when this disclosure provides a description of "each," "each," or "all" applied to a particular object or component, it should be understood that this is a non-limiting example, and it should be further understood that in various other examples, this description can be applied to less than "each," "each," or "all" of the particular object or component.

[0211] As used in this specification, the term "processor" may refer to substantially any computing processing unit or device, including but not limited to a single-core processor; a single processor with software multithreaded execution capability; a multi-core processor; a multi-core processor with software multithreaded execution capability; a multi-core processor with hardware multithreading technology; a parallel platform; and a parallel platform with distributed shared memory. In addition, a processor may refer to an integrated circuit, an application-specific integrated circuit (ASIC), a digital signal processor (DSP), a field programmable gate array (FPGA), a programmable logic controller (PLC), a complex programmable logic device (CPLD), a discrete gate or transistor logic component, a discrete hardware component, or any combination thereof designed to perform the functions described herein. In addition, the processor may utilize nanoscale architectures, such as, but not limited to, transistors, switches, and gates based on molecules and quantum dots, in order to optimize space usage or enhance the performance of user equipment. The processor may also be implemented as a combination of computing processing units. In the present disclosure, terms such as "repository", "storage device", "data repository", "data storage device", "database", and substantially any other information storage component related to the operation and function of the component are used to refer to a "memory component", an entity embodied in a "memory", or a component including a memory. It should be understood that the memory or memory components described herein may be volatile memory or non-volatile memory, or may include both volatile and non-volatile memory. As an illustration and not limitation, non-volatile memory may include read-only memory (ROM), programmable ROM (PROM), electrically programmable ROM (EPROM), electrically erasable ROM (EEPROM), flash memory, or non-volatile random access memory (RAM) (e.g., ferroelectric RAM (FeRAM)). Volatile memory may include RAM, which may, for example, act as an external cache memory. As an illustration and not limitation, RAM is available in many forms, such as synchronous RAM (SRAM), dynamic RAM (DRAM), synchronous DRAM (SDRAM), double data rate SDRAM (DDR SDRAM), enhanced SDRAM (ESDRAM), synchronous link DRAM (SLDRAM), direct Rambus RAM (DRRAM), direct Rambus dynamic RAM (DRDRAM) and Rambus dynamic RAM (RDRAM). In addition, the memory components of the system or computer-implemented method disclosed herein are intended to include, but are not limited to, including these and any other suitable types of memory.

[0212] What has been described above merely includes examples of systems and computer-implemented methods. Of course, for purposes of describing the present disclosure, it is not possible to describe every conceivable combination of components or computer-implemented methods, but many further combinations and permutations of the present disclosure are possible. In addition, to the extent that the terms "including," "having," "having," and the like are used in the detailed description, claims, appendices, and drawings, these terms are intended to be inclusive in a manner similar to how the term "comprising" is interpreted when used as a transitional word in a claim.

[0213] The description of various embodiments has been presented for the purpose of illustration, but is not intended to be exhaustive or limited to the disclosed embodiments. Many modifications and variations will be apparent without departing from the scope and spirit of the described embodiments. The terminology used herein is selected to best explain the principles of the embodiments, practical applications or technical improvements over technologies found in the marketplace, or to enable one of ordinary skill in the art to understand the embodiments disclosed herein.

[0214] Various non-limiting aspects are described in the following examples.

[0215] Embodiment 1: A scientific instrument may include a mass spectrometer coupled to a chromatograph, and may include a processor that executes computer executable components stored in a non-transitory computer readable memory. In various aspects, the computer executable components may include a determination component that may determine whether the scientific instrument is in an idle time period via a temperature sensor of the chromatograph or via a clock of the mass spectrometer. In various instances, the computer executable components may include a check component that may apply one or more electronic control signals to the mass spectrometer or the chromatograph in response to determining that the scientific instrument is in the idle time period, may measure one or more resulting ion spectra via an ion detector of the mass spectrometer, and may determine whether the mass spectrometer or the chromatograph is operating correctly based on the one or more resulting ion spectra.

[0216] Embodiment 2: A scientific instrument that can implement any of the preceding embodiments, wherein applying the one or more electronic control signals can activate an ion beam emitter of the mass spectrometer, wherein applying the one or more electronic control signals can be intended to cause an ion focusing lens of the mass spectrometer to transition from a through state to a blocked state, wherein the one or more resulting ion spectra can indicate a first abundance of a first ion measured for the through state, wherein the one or more resulting ion spectra can indicate a second abundance of the first ion measured for the blocked state, and wherein the first abundance differs from the second abundance by less than a threshold amount can indicate that the ion focusing lens is electrically disconnected.

[0217] Embodiment 3: A scientific instrument that can implement any of the preceding embodiments, wherein applying the one or more electronic control signals can cause the ion beam emitter of the mass spectrometer to charge the ion focusing lens of the mass spectrometer, wherein the one or more resulting ion spectra can indicate a first abundance of the first ion measured before the charging, wherein the one or more resulting ion spectra can indicate a second abundance of the first ion measured after the charging, and wherein the first abundance differs from the second abundance by more than a threshold amount can indicate that the ion focusing lens is contaminated by ion spots.

[0218] Embodiment 4: A scientific instrument that can implement any of the preceding embodiments, wherein applying the one or more electronic control signals can deactivate an ion beam emitter of the mass spectrometer, wherein the one or more resulting ion spectra can indicate an abundance of the first ion measured after the deactivation, and wherein the abundance being above a threshold can indicate that the ion detector is experiencing excessive background noise.

[0219] Embodiment 5: A scientific instrument that can implement any of the preceding embodiments, wherein applying the one or more electronic control signals can open a fluid valve of the chromatograph, wherein the one or more resulting ion spectra can indicate an abundance of a first ion measured after the opening, wherein the first ion can correspond to the fluid of the chromatograph, and wherein the abundance being above a threshold can indicate a fluid leak between the chromatograph and the mass spectrometer.

[0220] Embodiment 6: A scientific instrument that can implement any of the preceding embodiments, wherein the computer executable component can include a result component that can visually present a notification indicating that maintenance is required on an electronic display of the scientific instrument in response to determining that the mass spectrometer or the chromatograph is not operating properly.

[0221] Embodiment 7: A scientific instrument that can implement any of the preceding embodiments, wherein the computer executable component may include a result component that can visually present on an electronic display of the scientific instrument a notification indicating that a tuning operation previously performed on the mass spectrometer or on the chromatograph was unsuccessful in response to determining that the mass spectrometer or the chromatograph is not operating properly.

[0222] In various aspects, any one or more combinations of Embodiments 1 to 7 may be implemented.

[0223] Embodiment 8: A computer-implemented method may include: determining, by a scientific instrument including a mass spectrometer coupled to a chromatograph, whether the scientific instrument is in an idle period based on a temperature sensor of the chromatograph or based on a clock of the mass spectrometer. In various aspects, the computer-implemented method may include performing, by the scientific instrument and based at least in part on determining that the scientific instrument is in an idle period, a diagnostic check on the mass spectrometer or the chromatograph.

[0224] Embodiment 9: A computer-implemented method may be implemented to implement any of the preceding embodiments, wherein the diagnostic check may be a lens connection check, a voltage or current readback check, an ion optics charging check, a fluid leak check, a filament control check, a background noise check, an ion fragmentation check, an electrospray stability check, a calibration solution check, an ion migration tube check, a polarity switching check, or a communication check.

[0225] Embodiment 10: A computer-implemented method that can implement any of the preceding embodiments, the method further comprising: performing a tuning operation on the mass spectrometer or on the chromatograph by the scientific instrument and in response to determining that the scientific instrument is in the idle time period, wherein the diagnostic check can be performed in response to completion of the tuning operation.

[0226] Embodiment 11: A computer-implemented method of any of the preceding embodiments may be implemented, the method further comprising: the scientific instrument responding to the diagnostic check indicating that the mass spectrometer or the chromatograph has failed to operate within a threshold tolerance and visually presenting a notification on an electronic display of the scientific instrument indicating that the tuning operation was unsuccessful.

[0227] Embodiment 12: A computer-implemented method that can implement any of the preceding embodiments, the method further comprising: performing a tuning operation on the mass spectrometer or the chromatograph by the scientific instrument and in response to determining that the scientific instrument is in the idle time period, wherein the diagnostic check can be performed in response to an anomaly encountered during the tuning operation.

[0228] Embodiment 13: A computer-implemented method of any of the preceding embodiments may be implemented, the method further comprising: the scientific instrument responding to the diagnostic check indicating that component hardware of the mass spectrometer or the chromatograph has failed to operate within a threshold tolerance and visually presenting a notification on an electronic display of the scientific instrument indicating that damage to the component hardware is the cause of the anomaly.

[0229] Embodiment 14: A computer-implemented method may be implemented in accordance with any of the preceding embodiments, wherein the diagnostic check may be performed in response to determining that the scientific instrument is in the idle time period, and the computer-implemented method further comprises: performing a tuning operation on the component hardware of the mass spectrometer or the chromatograph by the scientific instrument and in response to the diagnostic check indicating that the component hardware of the mass spectrometer or the chromatograph fails to operate within a threshold tolerance.

[0230] Embodiment 15: A computer-implemented method that can implement any of the preceding embodiments, the method further comprising: the scientific instrument responding to the diagnostic check indicating that component hardware of the mass spectrometer or the chromatograph fails to operate within a threshold tolerance and presenting a notification on an electronic display of the scientific instrument indicating that maintenance of the component hardware is required.

[0231] In various aspects, any one or more combinations of Embodiments 8 to 15 may be implemented.

[0232] Embodiment 16: A computer program product for facilitating idle triggered diagnostics of a scientific instrument can be implemented. In various aspects, the computer program product can include a non-transitory computer readable memory having program instructions embodied therewith. In various instances, the program instructions can be executed by a processor to cause the processor to: measure a temperature of a chromatograph coupled to a mass spectrometer; perform a tuning operation on the mass spectrometer in response to determining that the temperature indicates an idle time period of the mass spectrometer; and verify whether the tuning operation is successful by performing a diagnostic check on the mass spectrometer during the idle time period and after the tuning operation, wherein the diagnostic check can involve measuring an ion spectrum via an ion detector of the mass spectrometer and comparing the ion spectrum to a threshold.

[0233] Embodiment 17: A computer program product may implement any of the preceding embodiments, wherein the diagnostic check may be a lens attachment check or an ion optics charging check.

[0234] Embodiment 18: A computer program product may implement any of the preceding embodiments, wherein the chromatograph may be a gas chromatograph or a liquid chromatograph.

[0235] Embodiment 19: A computer program product may implement any of the preceding embodiments, wherein the program instructions are further executable to cause the processor to identify a maintenance task corresponding to the diagnostic check in response to the ion spectrum failing to satisfy the threshold.

[0236] Embodiment 20: A computer program product may implement any of the preceding embodiments, wherein the program instructions are further executable to cause the processor to schedule execution of the maintenance task.

[0237] In various aspects, any one or more combinations of Embodiments 16 to 20 may be implemented.

[0238] In various aspects, any one or more combinations of Embodiments 1 to 20 may be implemented.

Claims

1. A scientific instrument comprising: a mass spectrometer coupled to the chromatograph; and a processor that executes computer-executable components stored in a non-transitory computer-readable memory, wherein the computer-executable components include: a determination component that determines, via a temperature sensor of the chromatograph or via a clock of the mass spectrometer, whether the scientific instrument is in an idle period; and A check component that applies one or more electronic control signals to the mass spectrometer or the chromatograph in response to determining that the scientific instrument is in the idle time period, measures one or more resulting ion spectra via an ion detector of the mass spectrometer, and determines whether the mass spectrometer or the chromatograph is operating properly based on the one or more resulting ion spectra.

2. A scientific instrument according to claim 1, wherein the application of the one or more electronic control signals activates an ion beam emitter of the mass spectrometer, wherein the application of the one or more electronic control signals is intended to cause an ion focusing lens of the mass spectrometer to transition from a through state to a blocked state, wherein the one or more resulting ion spectra indicate a first abundance of a first ion measured for the through state, wherein the one or more resulting ion spectra indicate a second abundance of the first ion measured for the blocked state, and wherein the first abundance differs from the second abundance by less than a threshold amount, indicating that the ion focusing lens is electrically disconnected.

3. A scientific instrument according to claim 1, wherein applying the one or more electronic control signals causes an ion beam emitter of the mass spectrometer to charge an ion focusing lens of the mass spectrometer, wherein the one or more resulting ion spectra indicate a first abundance of a first ion measured before the charging, wherein the one or more resulting ion spectra indicate a second abundance of the first ion measured after the charging, and wherein the first abundance differs from the second abundance by more than a threshold amount, indicating that the ion focusing lens is contaminated by ion spots.

4. A scientific instrument according to claim 1, wherein applying the one or more electronic control signals deactivates an ion beam emitter of the mass spectrometer, wherein the one or more resulting ion spectra indicate an abundance of the first ion measured after the deactivation, and wherein the abundance being above a threshold indicates that the ion detector is subject to excessive background noise.

5. A scientific instrument according to claim 1, wherein applying the one or more electronic control signals opens a fluid valve of the chromatograph, wherein the one or more resulting ion spectra indicate an abundance of a first ion measured after the opening, wherein the first ion corresponds to a fluid of the chromatograph, and wherein the abundance is above a threshold value indicating the presence of a fluid leak between the chromatograph and the mass spectrometer.

6. The scientific instrument of claim 1 , wherein the computer executable components comprise: A results component that visually presents a notification on an electronic display of the scientific instrument indicating that maintenance is required in response to determining that the mass spectrometer or the chromatograph is not operating properly.

7. The scientific instrument of claim 1 , wherein the computer executable components comprise: A results component that, in response to determining that the mass spectrometer or the chromatograph is not operating properly, visually presents a notification on an electronic display of the scientific instrument indicating that a previously performed tuning operation on the mass spectrometer or on the chromatograph was unsuccessful.

8. A computer-implemented method comprising: determining, by a scientific instrument including a mass spectrometer coupled to a chromatograph, whether the scientific instrument is in an idle period based on a temperature sensor of the chromatograph or based on a clock of the mass spectrometer; as well as A diagnostic check is performed on the mass spectrometer or the chromatograph by the scientific instrument and based at least in part on determining that the scientific instrument is in the idle time period.

9. The computer-implemented method of claim 8, wherein the diagnostic check is a lens connection check, a voltage or current readback check, an ion optics charging check, a fluid leak check, a filament control check, a background noise check, an ion fragmentation check, an electrospray stability check, a calibration solution check, an ion transfer tube check, a polarity switching check, or a communications check.

10. The computer-implemented method of claim 8, further comprising: A tuning operation is performed by the scientific instrument and in response to determining that the scientific instrument is in the idle time period, on the mass spectrometer or on the chromatograph, wherein the diagnostic check is performed in response to completion of the tuning operation.

11. The computer-implemented method of claim 10, further comprising: An indication by the scientific instrument in response to the diagnostic check that the mass spectrometer or the chromatograph failed to operate within a threshold tolerance is given and a notification is visually presented on an electronic display of the scientific instrument indicating that the tuning operation was unsuccessful.

12. The computer-implemented method of claim 8, further comprising: A tuning operation is performed on the mass spectrometer or the chromatograph by the scientific instrument and in response to determining that the scientific instrument is in the idle time period, wherein the diagnostic check is performed in response to an anomaly encountered during the tuning operation.

13. The computer-implemented method of claim 12, further comprising: An indication by the scientific instrument in response to the diagnostic check that component hardware of the mass spectrometer or the chromatograph fails to operate within a threshold tolerance and a notification is visually presented on an electronic display of the scientific instrument indicating that damage to the component hardware is the cause of the anomaly.

14. The computer-implemented method of claim 8, wherein the diagnostic check is performed in response to determining that the scientific instrument is in the idle time period, and the computer-implemented method further comprises: A tuning operation is performed on component hardware of the mass spectrometer or the chromatograph by the scientific instrument and in response to the diagnostic check indicating that component hardware of the mass spectrometer or the chromatograph fails to operate within a threshold tolerance.

15. The computer-implemented method of claim 8, further comprising: Indicating, by the scientific instrument in response to the diagnostic check, that component hardware of the mass spectrometer or the chromatograph is failing to operate within a threshold tolerance and presenting a notification on an electronic display of the scientific instrument indicating that maintenance is required on the component hardware.

16. A computer program product for facilitating idle triggered diagnostics of a scientific instrument, the computer program product comprising a non-transitory computer readable memory having program instructions embodied therewith, the program instructions executable by a processor to cause the processor to: measuring the temperature of a chromatograph coupled to a mass spectrometer; performing a tuning operation on the mass spectrometer in response to determining that the temperature indicates an idle period of the mass spectrometer; as well as Whether the tuning operation was successful is verified by performing a diagnostic check on the mass spectrometer during the idle time period and after the tuning operation, wherein the diagnostic check involves measuring an ion spectrum via an ion detector of the mass spectrometer and comparing the ion spectrum to a threshold value.

17. The computer program product of claim 16, wherein the diagnostic check is a lens attachment check or an ion optics charging check.

18. The computer program product of claim 16, wherein the chromatograph is a gas chromatograph or a liquid chromatograph.

19. The computer program product of claim 16, wherein the program instructions are further executable to cause the processor to: A maintenance task corresponding to the diagnostic check is identified in response to the ion spectrum failing to satisfy the threshold.

20. The computer program product of claim 19, wherein the program instructions are further executable to cause the processor to: Schedule execution of the maintenance task.

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