Analysis assistance device, analysis system, analysis assistance method, and analysis assistance program

Abstract

To quickly and properly analyze a sample.SOLUTION: The analysis support apparatus 200 is an analysis support apparatus 200 that supports determination of an analysis condition of a mass spectrometer 100 that acquires waveform data having a peak by executing mass spectrometry after irradiating a sample with a laser from an irradiator 110, and includes a peak width calculator 26 that calculates a width of the peak of the waveform data acquired by the mass spectrometer 200, and a laser power adjuster 24 that adjusts a value of laser power of the laser with which the sample is irradiated from the irradiator 110 based on the width of the peak calculated by the peak width calculator 26.SELECTED DRAWING: Figure 1

Description

[Technical Field]

[0001] The present invention relates to an analysis support device, an analysis system, an analysis support method, and an analysis support program. [Background technology]

[0002] There are mass spectrometers that use matrix-assisted laser desorption / ionization (MALDI). The accuracy of mass spectra obtained with MALDI mass spectrometers varies depending on various factors, including the concentration of sample components, the type of matrix used, the deterioration of the ionization laser light source, and the deterioration of the ion detector. In particular, the intensity of the laser irradiated on the sample (hereafter referred to as laser power) has a significant impact on the accuracy of the mass spectrum. For example, if the laser power is lower than the threshold for ionization of the sample, the sample will not ionize. Conversely, if the laser power is higher, the sample will thermally decompose when irradiated with a high-intensity laser. When a sample thermally decomposes, the thermally decomposed sample may be observed as noise, or the amount of ions may become excessive, resulting in a space charge effect. The space charge effect is the spatial dispersion of ions of a given substance within the mass separation section of a mass spectrometer due to the repulsion of ions caused by their electric charges. In this case, the detector takes longer to detect the ions of that substance, resulting in a decrease in resolution. Patent Document 1 describes a method of acquiring a mass spectrum while changing the laser power, and adjusting the laser power to an appropriate value using the ion intensity and S / N ratio in the mass spectrum. [Prior art documents] [Patent documents]

[0003] [Patent Document 1] International Publication No. 2021 / 215038 Summary of the Invention [Problem to be solved by the invention]

[0004] On the other hand, mass spectra are generated by integrating and averaging multiple waveform data obtained by irradiating a laser beam multiple times (e.g., about 100 times). To find the optimal laser power for sample ionization, it is necessary to repeatedly change the laser power while observing the mass spectrum waveform and then generate the mass spectrum. Therefore, finding the optimal laser power requires repeatedly irradiating the sample with the laser (e.g., about several hundred times), which can be time-consuming. Furthermore, if the same location on the sample is irradiated with the laser too many times, the irradiated portion of the sample will deteriorate. In this case, even if the sample is irradiated with the laser during analysis, ions may not be generated, making it difficult to properly analyze the sample.

[0005] An object of the present invention is to provide an analysis support device, an analysis system, and an analysis support method that are capable of analyzing samples quickly and appropriately. [Means for solving the problem]

[0006] A first aspect of the present invention relates to an analysis support device that supports the determination of analysis conditions for a mass spectrometer that acquires waveform data having peaks by irradiating a laser from an irradiation unit onto a sample and then performing mass analysis, the analysis support device comprising: a peak width calculation unit that calculates the width of the peak in the waveform data acquired by the mass spectrometer; and a laser power adjustment unit that adjusts the value of the laser power of the laser irradiated onto the sample from the irradiation unit based on the width of the peak calculated by the peak width calculation unit.

[0007] A second aspect of the present invention relates to an analysis system including the above-mentioned analysis support control device.

[0008] A third aspect of the present invention relates to an analysis support method for supporting the determination of analysis conditions for a mass spectrometer that acquires waveform data having a peak by irradiating a laser from an irradiation unit onto a sample and then performing mass analysis, the analysis support method comprising the steps of: calculating the width of the peak in the waveform data acquired by the mass spectrometer; and adjusting the value of the laser power of the laser irradiated onto the sample from the irradiation unit based on the width of the peak calculated in the calculating step.

[0009] A fourth aspect of the present invention relates to an analysis support program for supporting the determination of analysis conditions for a mass spectrometer that acquires waveform data having peaks by irradiating a laser from an irradiation unit onto a sample and then performing mass analysis, the analysis support program causing a computer to execute a process of calculating the width of the peak in the waveform data acquired by the mass spectrometer, and a process of adjusting the value of the laser power of the laser irradiated onto the sample from the irradiation unit based on the width of the peak calculated by the calculation process. [Effects of the Invention]

[0010] According to the present invention, it is possible to analyze a sample quickly and appropriately. [Brief explanation of the drawings]

[0011] [Figure 1] 1 is a schematic diagram illustrating a configuration of an analysis system according to an embodiment of the present invention. [Figure 2] FIG. 10 is a diagram showing peaks in one-shot waveform data. [Figure 3] FIG. 10 is a diagram showing peaks in one-shot waveform data. [Figure 4] FIG. 10 is a diagram showing peaks in one-shot waveform data. [Figure 5] FIG. 10 is a diagram showing peaks in one-shot waveform data. [Figure 6] FIG. 10 is a diagram showing peaks in one-shot waveform data. [Figure 7]FIG. 10 is a diagram showing peaks in one-shot waveform data. [Figure 8] 10 is an example of one-shot waveform data obtained by a waveform data generation operation for a sample. [Figure 9] 10 is an example of one-shot waveform data obtained by a waveform data generation operation for a sample. [Figure 10] 10 is an example of one-shot waveform data obtained by a waveform data generation operation for a sample. [Figure 11] FIG. 2 is a diagram illustrating an example of a device configuration of the analysis support device of FIG. [Figure 12] FIG. 10 is a diagram for explaining an example of calculating the peak base length. [Figure 13] 10 is a table showing an example of a table for determining a laser power adjustment value. [Figure 14] 10 is a flowchart of an operation of calculating an optimum value of laser power of the analysis support device. [Figure 15] 10 is a flowchart of an operation of calculating an optimum value of laser power of the analysis support device. [Figure 16] 10 is a graph illustrating an example of an operation for calculating an optimum laser power value. [Figure 17] FIG. 10 is a schematic diagram illustrating the configuration of an analysis system according to a second embodiment. [Figure 18] 10 is an example of image data of a sample in a well captured by an imaging unit. [Figure 19] An enlarged view of the outer periphery of the sample in FIG. 18 is shown. [Figure 20] FIG. 10 is a diagram for explaining an example of sweet spot search. [Figure 21] 10 is a flowchart showing how the analysis support device searches for a sweet spot. [Figure 22] 10 is a flowchart showing how the analysis support device searches for a sweet spot. DETAILED DESCRIPTION OF THE INVENTION

[0012] DETAILED DESCRIPTION OF THE PREFERRED EMBODIMENTS An analysis support device according to an embodiment of the present invention will be described in detail below with reference to the accompanying drawings.

[0013] (1) First Example (1-1) Analysis system 1 is a schematic diagram illustrating the configuration of an analysis system 500 according to this embodiment. The analysis system 500 includes a mass spectrometer 100 and an analysis support device 200. The mass spectrometer 100 is a mass spectrometer that uses an ion source based on matrix-assisted laser desorption / ionization (MALDI) technology. The mass spectrometer 100 includes a sample chamber CH, an irradiation unit 110, a mass analysis unit 120, and a control unit 130.

[0014] The sample chamber CH accommodates a mounting part PT. A sample plate PL is placed on the mounting part PT. The sample plate PL may be transported onto the mounting part PT in the sample chamber CH manually by an operator through a transport port (not shown) of the sample chamber CH, or by a transport robot (not shown). A sample SP1 constituting a MALDI ion source is placed in a well WL of the sample plate PL. In this example, the sample SP1 is a known sample. The sample SP1 may also be an unknown sample. In the example of FIG. 1, one well WL is placed on the sample plate PL, but the number of wells WL placed is not limited to this.

[0015] The irradiation unit 110 irradiates a laser onto the sample SP1 on the sample plate PL. The laser irradiated onto the sample plate PL is, for example, a nitrogen laser. When the laser is irradiated onto the sample SP1, the sample SP1 is ionized. Then, the ions of the sample SP1 are guided to the mass analysis unit 120.

[0016] The mass analysis unit 120 includes a mass separation unit and a detection unit (not shown). The mass separation unit separates ions of the sample SP1 according to m / z. The mass separation unit may be a quadrupole, ion trap, or time-of-flight unit. The detection unit detects the separated ions according to m / z. The detection unit may be a photomultiplier tube or a secondary electron multiplier tube. The mass analysis unit 120 generates waveform data based on the ion detection signal from the detection unit. The waveform data includes peaks that indicate the separated components. In this manner, in the mass analysis device 100, one waveform data is generated for each laser irradiation (one shot) from the irradiation unit 110. This series of operations is called a waveform data generation operation. One waveform data obtained by the waveform data generation operation is called one-shot waveform data. In this embodiment, one-shot waveform data is an example of waveform data. The control unit 130 includes a CPU (central processing unit), RAM (random access memory), ROM (read-only memory), a storage device, etc. (not shown). The control unit 130 controls the operations of the irradiation unit 110 and the mass analysis unit 120 to cause them to perform waveform data generation operations.

[0017] In one-shot waveform data, the peak intensity varies greatly depending on the condition of the sample and the condition of the laser irradiation on the sample. Therefore, one-shot waveform data is not stable as data for evaluating the sample. Therefore, in the mass analysis unit 120, multiple one-shot waveform data are obtained by irradiating the sample SP1 with a laser multiple times, and a mass spectrum is generated by integrating and averaging the multiple one-shot waveform data. A mass spectrum is obtained by integrating and averaging multiple one-shot waveform data. Generally, a mass spectrum is waveform data obtained by integrating and averaging 100 to 10,000 one-shot waveform data.

[0018] Generally, signals accidentally obtained as noise in one-shot waveform data have a low probability of being repeatedly observed at the same m / z. On the other hand, signals originating from a sample in one-shot waveform data are repeatedly observed at the same m / z. Therefore, in MALDI mass spectrometry, by integrating and averaging multiple one-shot waveform data, the influence of noise is reduced while only the signals originating from the sample are retained, resulting in a high signal-to-noise ratio. Therefore, MALDI mass spectrometry provides highly reliable data for evaluating samples.

[0019] Here, we will explain the one-shot waveform data generated by the mass analysis unit 120. It is generally known that the intensity of the peaks in one-shot waveform data changes depending on the magnitude of the laser power. Figures 2 to 7 are diagrams showing peaks in one-shot waveform data. In the one-shot waveform data of Figures 2 to 7, the vertical axis represents signal intensity and the horizontal axis represents m / z (mass-to-charge ratio).

[0020] 2 and 3 show examples of peaks in one-shot waveform data when the laser power is insufficient. When the laser power is insufficient, as shown in FIG. 2, the amount of ionized ions is small, so the influence of the space charge effect is small, and the width of the obtained signal in the horizontal axis direction (m / z direction) tends to be narrow. Here, as shown in FIG. 2, an arbitrary threshold Th is set in the one-shot waveform data that is greater than the baseline (signal intensity in the range where no ion signal is obtained). Here, the horizontal length of the signal in one-shot waveform data where peaks continuously exceed threshold Th is called the peak base length. In this embodiment, the peak base length is an example of the peak width.

[0021] In the example of Figure 2, multiple peaks with peak base lengths WL1 to WL6 are calculated. The shape and size of the peaks, the presence or absence of noise, and the m / z position at which noise appears vary greatly among the one-shot waveform data obtained by multiple waveform data generation operations. Therefore, multiple one-shot waveform data are obtained by multiple waveform data generation operations, and the one-shot waveform data are integrated and averaged. This allows for the acquisition of a mass spectrum with a waveform with a relatively smooth shape, as shown in Figure 3. However, in the example shown in Figure 3, even though a mass spectrum is acquired, the laser power is insufficient, and therefore a sufficient signal-to-noise ratio is not obtained for the peaks that should be acquired.

[0022] Figures 4 and 5 show examples of peaks in one-shot waveform data when the laser power is set to an appropriate value. When the laser power is appropriate, as shown in Figure 4, peaks with peak base lengths WM1 and WM2 are calculated at the m / z where ions derived from the sample are observed. In the peak with peak base length WM1, the signals of the first and second isotopes of one ion are consecutively observed, with values ​​greater than the threshold value Th. As shown above, when the laser power is appropriate, a relatively large number of ions derived from the sample are generated, and therefore, due to influences such as the space charge effect, the peak base lengths tend to be relatively wide when one-shot waveform data is acquired.

[0023] Furthermore, when the laser power is appropriate, the amount of ions derived from contaminants and sample decomposition products is relatively small compared to ions derived from the sample, and the space charge effect is less likely to be a factor. Therefore, in one-shot waveform data, the peak base lengths of signals derived from chemical noise tend to be relatively narrow. Single peaks with relatively narrow peak base lengths, such as those with peak base lengths WM3 and WM4, are likely signals derived from isotopes other than the first and second isotopes, or noise derived from contaminants. Such single peaks with relatively narrow peak base lengths are unlikely to be repeatedly observed at approximately the same m / z when multiple one-shot waveform data are acquired. Therefore, the influence of the single peak in the mass spectrum is reduced, and it is no longer detected as a peak. Thus, when a signal with a peak base length greater than a certain value is obtained in one-shot waveform data, it is highly likely that ions derived from the sample have been detected. By integrating and averaging multiple one-shot waveform data obtained with appropriate laser power, as shown in Figure 4, a suitable mass spectrum containing peaks with a high signal-to-noise ratio and high resolution can be obtained, as shown in Figure 5.

[0024] Figures 6 and 7 show examples of peaks in one-shot waveform data when the laser power is excessive. When the laser power is too high, excessive ions are generated, and the isotope peaks cannot be resolved due to the space charge effect, which can result in continuous detection up to a higher mass side than the m / z of the actual sample. This results in a wider calculated peak base length. When the laser power is too high, as shown in Figure 6, a peak with a relatively wide peak base length, such as peak base length WH1, is calculated at the m / z where ions originating from the sample are observed. When one-shot waveform data containing peaks with relatively wide peak base lengths are integrated and averaged, a mass spectrum with poor resolution is obtained, as shown in Figure 7.

[0025] According to the above relationship, it can be seen that as the laser power increases, the peak intensity (the amount of ions generated) increases and the peak base length widens. Therefore, it is expected that an appropriate laser power can be determined by setting a target range for the peak base length and adjusting the laser power so that the peak base length falls within that target range. Therefore, an experiment was conducted to confirm whether the peak base length in one-shot waveform data can be used as an index for adjusting the laser power value.

[0026] 8 to 10 show examples of one-shot waveform data obtained by the waveform data generation operation for sample SP1. In this experiment, a sample containing multiple types of peptides was used as sample SP1, and α-cyano-4-hydroxycinnamic acid (CHCA) was used as the matrix. FIGS. 8 to 10 show waveform data D1 to D3 acquired by the data acquisition unit 21. The waveform data D1 to D3 are pre-cut off at "baseline + 4 mV," which corresponds to the threshold value. Therefore, in this example, to calculate the peak base length, it is sufficient to examine the range of the cut-off signal where the value is continuously greater than 0. Waveform data D1 in FIG. 8 is waveform data obtained by the waveform data acquisition operation with the laser power set to 21. Waveform data D2 in FIG. 9 is waveform data obtained by the waveform data acquisition operation with the laser power set to 23. Waveform data D3 in FIG. 10 is waveform data obtained by the waveform data acquisition operation with the laser power set to 25. In waveform data D1 to D3, the vertical axis represents signal intensity and the horizontal axis represents m / z (mass-to-charge ratio). In waveform data D1 to D3 in Figures 8 to 10, multiple peaks are acquired, and the intensity of the peaks indicates the magnitude of the peak base length. Specifically, the smaller the peak base length in the waveform data, the lighter the peak, and the larger the peak base length, the darker the peak. In addition, enlarged views of the peaks of components AA to AC derived from the sample in waveform data D1 to D3 are shown above waveform data D1 to D3.

[0027] As shown in waveform data D1 to D3 in Figures 8 to 10, for sample-derived components AA to AC, the peak base lengths increased with increasing laser power, whereas the peak base lengths decreased with decreasing laser power. On the other hand, increasing the laser power increased the occurrence of chemical noise CN in the waveform data. This chemical noise CN is thought to be caused by impurities and ions resulting from the fragmentation of sample ions. The chemical noise CN signal has a small ion content, which reduces the space charge effect. This resulted in the peak base lengths remaining narrow even when the laser power was increased. These experimental results demonstrated that the peak base lengths in the waveform data can be used as an index for adjusting the laser power. Therefore, the inventors developed the analysis support device 200 shown in Figure 1, which can adjust the laser power of the laser used for analysis to an appropriate value based on the sample-derived peak base lengths in the waveform data.

[0028] Fig. 11 is a diagram showing an example of the device configuration of analysis support device 200 in Fig. 1. Analysis support device 200 is configured with CPU 201, RAM 202, ROM 203, storage unit 204, operation unit 205, display unit 206, and input / output I / F 207. CPU 201, RAM 202, ROM 203, storage unit 204, operation unit 205, display unit 206, and input / output I / F 207 are connected to bus 208.

[0029] The RAM 202 is used as a working area for the CPU 201. The ROM 203 stores a system program. The storage unit 204 includes a storage medium such as a hard disk or semiconductor memory, and stores an analysis support program. The analysis support program may be stored in the ROM 203 or another external storage unit. A CD-ROM 209 is detachably attached to the storage unit 204.

[0030] The operation unit 205 is an input device such as a keyboard, a mouse, or a touch panel. The input / output I / F 207 is connected to a network. The recording medium for storing the program executed by the CPU 201 is not limited to the CD-ROM 209, but may be an optical disk (MO (Magnetic Optical Disc) / MD (Mini Disc) / DVD (Digital Versatile Disc)), an IC card, an optical card, or a semiconductor memory such as a mask ROM or an EPROM (Erasable Programmable ROM). Furthermore, the CPU 201 may download the analysis support program from a computer connected to the network and store it in the storage unit 204, or the computer connected to the network may write the analysis support program to the storage unit 204.

[0031] 1 shows a functional block diagram of analysis support device 200. Analysis support device 200 includes a data acquisition unit 21, a target m / z range selection unit 22, a target peak width range setting unit 23, a laser power adjustment unit 24, an operation command unit 25, a peak base length calculation unit 26, a peak base length determination unit 27, an optimum value calculation unit 28, a display control unit 29, and an integrating unit 20. Each of the components (20-29) of analysis support device 200 is realized by executing a computer program, such as an analysis support program, stored in ROM or a storage unit on RAM. Some or all of the components (20-29) of analysis support device 200 may be configured using hardware such as electronic circuits.

[0032] Analysis support device 200 calculates an optimal laser power value as an analysis support operation that supports the analysis of mass spectrometer 100. Data acquisition unit 21 acquires one-shot waveform data generated by the waveform data generation operation of mass spectrometer 100. The one-shot waveform data acquired by data acquisition unit 21 is stored in memory unit 204 of analysis support device 200.

[0033] In MALDI mass spectrometry, there are cases where a large amount of matrix-derived ions are generated in the low mass range, or where it is known that an impurity peak appears at a specific m / z. If the laser power is adjusted using the peak base length calculated from these peaks, it may be impossible to obtain a sufficient amount of peaks derived from the desired sample. Therefore, the target m / z range selector 22 specifies a target m / z range that indicates the range within the waveform data for which the peak base length is calculated. The target m / z range selected by the target m / z range selector 22 may be set as a single range or as multiple ranges.

[0034] The peak base length calculation unit 26 calculates the peak base length exceeding a predetermined threshold within the target m / z range selected by the target m / z range selection unit 22 within the waveform data acquired by the data acquisition unit 21. (As a supplementary explanation, the peak base length is calculated for both the signal derived from the sample and the signal due to chemical noise. As mentioned above, the peak base length of the signal due to chemical noise remains below a certain value even if the laser power is increased. Therefore, the laser power is adjusted based on the longest peak base length among the peak base lengths obtained within the target m / z range. However, if multiple peak base lengths are obtained, the peak base length may be determined as the average of the base lengths of the peaks with the longest peak base lengths.)

[0035] FIG. 12 is a diagram illustrating an example of calculating the peak base length. In the example shown in FIG. 12, the target m / z range is set to 600 to 2000, and the peak base length is calculated for peaks within the target m / z range that exceed a predetermined threshold. In this embodiment, in the example of FIG. 12, the maximum value of 2.1 Da within the target m / z range is calculated as the peak base length. The calculated peak base length may be, for example, the average of the top two peak base lengths ((1.3 Da + 2.1 Da) / 2 = 1.7 Da).

[0036] Returning to FIG. 1 , the target peak width range setting unit 23 sets a target range for the peak base length calculated by the peak base length calculation unit 26. The target range for the peak base length is a target range for the peak base length set to obtain a desired laser power value. In this example, the target range for the peak base length is set to a value between 1.5 and 4.0.

[0037] The laser power adjustment unit 24 acquires the laser power value of the laser irradiated from the irradiation unit 110 and adjusts the laser power value. The laser power adjustment unit 24 adjusts the laser power value so that the peak base length of the target component converges within the target range (1.5 to 4.0) set by the target peak width range setting unit 23. Specifically, the laser power adjustment unit 24 increases the laser power when the peak base length of the target component is smaller than the lower limit (1.5) of the target range, and decreases the laser power when the peak base length of the target component is larger than the upper limit (4.0) of the target range. When the peak base length of the target component is smaller than the lower limit of the target range, it is preferable to increase the laser power by a larger amount as the difference between the peak base length of the target component and the lower limit of the target range increases. Furthermore, when the peak base length of the target component is larger than the upper limit of the target range, it is preferable to decrease the laser power by a smaller amount as the difference between the peak base length of the target component and the upper limit of the target range increases. These adjustments enable the reduction of the laser power time to be shortened. Hereinafter, the amount by which the laser power is increased or decreased will be referred to as the “laser power adjustment value.” In this example, the value of the laser power is adjusted by adding the laser power adjustment value to the value of the laser power.

[0038] The laser power adjustment unit 24 determines the laser power adjustment value based on a predetermined table. FIG. 13 is an example of a table for determining the laser power adjustment value. In the example of the table in FIG. 13, the target range of the peak base length is set to 1.5 Da to 4.0 Da, and the value of the peak base length in the waveform data obtained by the waveform data generation operation is associated with the laser power adjustment value. In the example of FIG. 13, when the value of the peak base length in the waveform data is less than 0.1, the laser power adjustment value is +5. When the value of the peak base length is 0.1 or more and less than 0.3, the laser power adjustment value is +3. When the value of the peak base length is 0.3 or more and less than 1.0, the laser power adjustment value is +1. When the value of the peak base length is 1.0 or more and less than 1.5, the laser power adjustment value is +0.5. In this example, the target range is set to 1.5 or more and 4.0 or less, so within this target range, the laser power adjustment value is ±0. That is, if the value of the peak base length is within the target range, the laser power value is not adjusted. Furthermore, if the value of the peak base length is greater than 4.0 and equal to or less than 7.0, the laser power adjustment value is -0.5, if the value of the peak base length is greater than 7.0 and equal to or less than 10.0, the laser power adjustment value is -1.0, and if the value of the peak base length is greater than 10.0, the laser power adjustment value is -2.0. The table of Figure 13 may be created according to the laser power adjustment method described above, or may be created automatically using data accumulated from the adjustment results of the laser power adjustment unit 24 described above.

[0039] 1 , operation command unit 25 commands control unit 130 of mass spectrometer 100 to execute a waveform data generation operation for which a laser power value is specified. As a result, the waveform data generation operation is performed in mass spectrometer 100, and the generated waveform data is acquired by data acquisition unit 21.

[0040] The peak base length determination unit 27 determines whether the peak base length calculated by the peak base length calculation unit 26 is within the target range set by the target peak width range setting unit 23. The optimal value calculation unit 28 calculates the optimal laser power value for the sample SP1 based on the laser power and the peak base length obtained by that laser power. The display control unit 29 displays the optimal laser power value calculated by the optimal value calculation unit 28 on the display unit 206 in FIG. 11. The integrating unit 20 integrates and averages multiple one-shot waveform data acquired by the data acquisition unit 21. Specifically, to calculate the optimal laser power value, the integrating unit 20 integrates and averages only one-shot waveform data acquired by the data acquisition unit 21 whose calculated peak base length satisfies a predetermined condition, thereby creating a mass spectrum. The predetermined condition here is, for example, whether the peak base length of the target component in the one-shot waveform data is 1.5 to 4.0.

[0041] (1-2) Calculation of the optimal laser power 14 and 15 are flowcharts of the operation of calculating the optimum laser power value of analysis support device 200. FIG. 16 is a graph for explaining an example of the operation of calculating the optimum laser power value. In the graph of FIG. 16, the vertical axis represents laser power and peak base length, and the horizontal axis represents the number of times the waveform data generation operation is performed. The change in peak base length for each waveform data generation operation is shown by curve PWL, and the change in laser power for each waveform data generation operation is shown by curve LPL. The value of the peak base length for each waveform data generation operation is plotted on curve PWL, and the value of the laser power for each waveform data generation operation is plotted on curve LPL.

[0042] First, data acquisition unit 21 in Fig. 1 acquires one-shot waveform data from mass spectrometer 100, which has been acquired by a waveform data generation operation under predetermined conditions (step S1). The conditions for the waveform data generation operation in step S1 are set at an early stage for the purpose of enabling appropriate peak separation. Target m / z range selection unit 22 specifies a target m / z range within the waveform data that indicates the range for calculating the peak base length (step S2).

[0043] Target peak width range setting unit 23 sets a target range for the peak base length (step S3). In FIG. 16, the target range is illustrated as OR. As described above, in this embodiment, the target range OR for the peak base length is 1.5 or more and 4.0 or less. Next, laser power adjustment unit 24 determines the value of the laser power. As shown in FIG. 16, the laser power value LP1 after adjustment in the first waveform data generation operation is set to 0 (step S4). Here, operation command unit 25 sets variable n to 1 and constant K to 50 (step S5). Variable n indicates the number of times the waveform data generation operation is performed, and constant K indicates the number of times the waveform data generation operation should be performed in the calculation of the optimal laser power value of analysis support device 200. Constant K may be set by the user or may be set in advance.

[0044] The operation command unit 25 specifies a laser power value and commands the control unit 130 to execute a waveform data generation operation (step S6). The laser power value specified in the first waveform data generation operation is 0. The control unit 130 of the mass spectrometer 100, which has received the command in step S6, controls the irradiation unit 110 and the mass analysis unit 120. As a result, after the sample SP1 is irradiated with a laser having the adjusted laser power value, the ionized components are detected by the detection unit of the mass analysis unit 120, and one-shot waveform data is generated by the waveform data generation operation.

[0045] Data acquisition unit 21 acquires the one-shot waveform data generated in the waveform data generation operation (step S7). Furthermore, peak base length calculation unit 26 calculates the peak base length exceeding a predetermined threshold within the target m / z range selected by target m / z range selection unit 22 within the one-shot waveform data acquired in step S7 (step S8). As shown in Fig. 16, peak base length PW1 within the first one-shot waveform data is 0.

[0046] Here, the peak base length determination unit 27 determines whether the peak base length PWn, which exceeds a predetermined threshold value within the target m / z range in the one-shot waveform data calculated by the peak base length calculation unit 26, is within the target range OR set in step S3 (step S9). If the peak base length PWn is not within the target range OR set in step S3 in step S9, the laser power adjustment unit 24 adjusts the value of the laser power (step S10).

[0047] In the example of FIG. 16, in the first waveform data generation operation, the value of the peak base length is 0 when the laser power value is 0. In this case, since this corresponds to No. 1 in the table of FIG. 13, the laser power adjustment value is set to +5. As a result, the laser power adjustment value +5 is added to the first laser power value of 0, and the adjusted laser power value becomes 5. In other words, the value (5) obtained by adding the laser power adjustment value (+5) to the first laser power value (0) is the laser power value in the second waveform data generation operation.

[0048] Here, the operation command unit 25 adds 1 to the variable n (step S11) and determines whether or not the variable n is greater than a constant K (step S12). In other words, the operation command unit 25 determines whether or not the number of times the waveform data generating operation has been performed has reached the number of waveform data generating operations to be performed (50 times in this example). If it is determined in step S12 that the number of times the waveform data generating operation has been performed has not reached the number of waveform data generating operations to be performed, the process returns to step S6. As a result, the operations of steps S6 to S10 are repeated until the number of times the waveform data generating operation has been performed reaches the number of waveform data generating operations to be performed. As a result, the graph shown in FIG. 16 is obtained.

[0049] In step S12, when the number of times the waveform data generating operation has been executed reaches the number of waveform data generating operations to be executed (50 in this example), the process proceeds to step S13 in FIG. 15. The optimum value calculation unit 28 calculates an optimum value indicating the optimum laser power value for the sample SP1 based on the laser power and the peak base length obtained by that laser power (step S13). Here, for example, in FIG. 16, the average value of the laser power values ​​LPn corresponding to the peak base length values ​​PWn located within the target range OR is calculated as the optimum laser power value for the sample SP1. The display control unit 29 causes the display unit 206 in FIG. 11 to display the optimum laser power value calculated by the optimum value calculation unit 28 (step S14). Then, the accumulator 20 extracts one-shot waveform data from the waveform data stored in the memory 204, in which the peak base length value exceeds a predetermined threshold within the target m / z range in the one-shot waveform data and falls within the target range OR, and generates a mass spectrum by accumulating and averaging the extracted one-shot waveform data (step S15).

[0050] (1-3) Effects of the First Embodiment According to the above-described analysis support device 200, it is possible to determine whether the laser power is appropriate based on the peak base length of one-shot waveform data, eliminating the need to use a mass spectrum obtained by integrating and averaging a larger number of one-shot waveform data when adjusting the laser power. In other words, the number of times the laser is irradiated onto the sample SP1 can be reduced when adjusting the laser power. This reduces the chance of the sample state changing before it is actually analyzed in the mass analyzer. This also reduces the time required to adjust the laser power. Furthermore, the display unit 206 displays the appropriate laser power value for the laser irradiated onto the sample. This allows even inexperienced operators to easily operate the mass analyzer. As a result, it is possible to analyze samples more quickly and appropriately while improving versatility.

[0051] (1-4) Another example of the first embodiment (a) In the above-described analysis support device 200, an example is described in which the display control unit 29 displays the optimum laser power on the display unit 206. However, the display control unit 29 does not have to be used. For example, the appropriate laser power calculated by the optimum value calculation unit 28 may be sent directly to the control unit 130. In this case, it becomes possible to automatically set the appropriate laser power value in the mass spectrometer 100.

[0052] (b) In the above-described analysis support device 200, an example is shown in which a laser power adjustment value is determined using the table shown in FIG. 13 and the laser power value is adjusted using the determined laser power adjustment value, but the present invention is not limited to this. For example, the laser power adjustment unit 24 may adjust the laser power value based on the amount of change in the peak base length. In this case, the laser power value may be adjusted using relational expression (1) that associates the amount of change in the peak base length ΔPW with the laser power adjustment value LA. LA=α×ΔPW (1) Here, the change in peak base length ΔPW is the difference between the peak base length in the (n+1)th one-shot waveform data and the peak base length in the nth one-shot waveform data, and α is a predetermined coefficient.

[0053] (c) Other embodiments In the above embodiment, an example is described in which the value of laser power is adjusted using one-shot waveform data, but the present invention is not limited to this. In adjusting the value of laser power, integrated waveform data may be used. Integrated waveform data is waveform data obtained by integrating and averaging one-shot waveform data. The number of one-shot waveform data used to generate integrated waveform data is smaller than the number of one-shot waveform data used to generate a mass spectrum. Generally, integrated waveform data is waveform data obtained by integrating and averaging approximately 2 to 100 pieces of one-shot waveform data.

[0054] As shown in Figures 2 and 4, the peaks in one-shot waveform data have sharp tips, making it difficult to calculate the half-width. On the other hand, the integrated and averaged waveform data shown in Figures 3 and 5 is obtained by integrating and averaging one-shot waveform data, and therefore has gentle peak shapes. Therefore, the half-width of each peak can be calculated from the integrated waveform data. In the above embodiment, an example is described in which the peak base length is used as the peak width. However, when integrated waveform data is used instead of one-shot waveform data to adjust the laser power value, the half-width of the peak may be used as the peak width.

[0055] (2) Second embodiment In the above-described embodiment, by calculating the optimal value of the laser power of the laser irradiated onto the sample, it becomes possible to appropriately ionize the sample. Meanwhile, with regard to the position where the laser is irradiated, there are positions within the sample where ionization is easy and positions where ionization is difficult. When the laser is irradiated onto a position where ionization is easy, more ions are generated than at a position where ionization is difficult. Hereinafter, the position within the sample where ionization is easy is referred to as the sweet spot. At the sweet spot, it is possible to appropriately ionize the sample even when irradiated with a laser with low laser power.

[0056] (2-1) Analysis system FIG. 17 is a schematic diagram illustrating the configuration of an analysis system 500b according to the second embodiment. The analysis system 500b according to the second embodiment differs from the analysis system 500 according to the first embodiment in the following respects. The mass spectrometer 100b further includes an imaging unit 140 and a driving unit 150. The imaging unit 140 is a microscope capable of capturing an image of the sample SP1 in the well WL of the sample plate PL from above. The driving unit 150 is, for example, an actuator, and moves the mounting unit PT within a horizontal plane. This makes it possible to move the sample SP1 relative to the laser irradiated from the irradiation unit 110b. In other words, it is possible to adjust the laser irradiation position on the sample SP1. The control unit 130b further controls the operation of the imaging unit 140 and the driving unit 150.

[0057] The configuration of the analysis support device 200b is similar to that shown in FIG. 11. The analysis support device 200b searches for a sweet spot as an analysis support operation for supporting the analysis of the mass spectrometer 100b. The analysis support device 200b further includes a sample shape identification unit 2b1, an irradiation position setting unit 2b2, a reference value acquisition unit 2b3, and a sweet spot determination unit 2b4. The data acquisition unit 21b of the analysis support device 200b further acquires image data of the sample in the well WL captured by the imaging unit 140. FIG. 18 shows an example of image data of the sample SP1 in the well WL captured by the imaging unit 140. The sample shape identification unit 2b1 includes a trained model that has undergone pre-training, and the trained model includes an image recognition function. The image recognition function includes a function for identifying the peripheral shape of the crystal of the sample in the well WL. The sample shape identification unit 2b1 inputs the image data acquired by the data acquisition unit 21b into the trained model to identify the peripheral shape Sh of the sample in the well WL. In FIG. 18, the outer peripheral shape Sh of the sample SP1 identified by the sample shape identifying section 2b1 is shown by a thick line.

[0058] The irradiation position setting unit 2b2 determines an irradiation position at which the laser is irradiated within the sample SP1 surrounded by the outer peripheral shape Sh. FIG. 19 shows an enlarged view of the outer peripheral shape Sh in FIG. 18. In the example of FIG. 19, irradiation positions IP1 to IP19 are arranged in a grid pattern at intervals of 8 pixels within the sample SP1 surrounded by the outer peripheral shape Sh. The method of arranging the irradiation positions is not limited to this, and they may be arranged randomly. The analysis support device 200b searches for a sweet spot from the irradiation positions IP1 to IP19.

[0059] FIG. 20 is a diagram illustrating an example of sweet spot search. The sweet spot search by analysis support device 200b is performed according to the following procedure before the calculation of the optimal laser power value shown in FIGS. 14 and 15. In the sweet spot search, laser irradiation is performed in the order of irradiation positions IP1 to IP19. First, an initial value of the laser power to be irradiated onto sample SP1 is set. In the example of FIG. 20, the initial value of the laser power is 25. Next, operation command unit 25b sets the laser power value to the initial value and commands control unit 130 of mass spectrometer 100 to perform a waveform data generation operation. In mass spectrometer 100, a waveform data generation operation is performed using a laser with a laser power value of 25, and waveform data is acquired by data acquisition unit 21b. In the sweet spot search, if the peak base length that exceeds a predetermined threshold within the target m / z range in one-shot waveform data obtained by laser irradiation is smaller than the minimum value of the target range set by target peak width range setting unit 23b, "ND (Not Detected)" is entered as the search result. In the example of FIG. 20, the target range is 0.5 or more and 1.0 or less. If the search result is "ND," the laser power is adjusted by adding 5 to the laser power value. The adjusted laser power value is 30. Furthermore, in the mass spectrometer 100, a waveform data generation operation is performed using a laser with a laser power value of 30. By repeating this series of operations, in the example of FIG. 20, a peak base length (0.52) within the target range is obtained when the laser power value is 40 at the irradiation position IP1. At this time, the irradiation position IP1 and the laser power value 40 are stored in the memory unit of the analysis support device 200b (see FIG. 11).

[0060] In searching for the sweet spot, the laser power value 40 at irradiation position IP1 is used as the reference value of the laser power. The reference value acquisition unit 2b3 acquires the reference value of the laser power. As described above, in the sweet spot, even a laser with a relatively small laser power value can adequately ionize the sample. Therefore, at the other irradiation positions IP2 to IP19, the sweet spot is searched for by performing a waveform data generation operation using a laser with a laser power value smaller than the reference laser power value. If, for example, at the other irradiation positions IP2 to IP19, the waveform data generation operation is performed using a laser with a laser power value smaller than the reference laser power value and the search results at all irradiation positions are "ND," then the sweet spot is irradiation position IP1.

[0061] At the next irradiation position IP2, a laser having a laser power reference value (40) is irradiated. Since the search result at irradiation position IP2 is "ND," the peak base length exceeding the predetermined threshold within the target m / z range in the one-shot waveform data is smaller than the minimum value (0.5) of the target range. Therefore, to keep the peak base length within the target range, the laser power must be increased. Meanwhile, in the search for the sweet spot, laser power values ​​above the reference value do not need to be considered. Therefore, the search for the sweet spot at irradiation position IP2 ends with the search result being "ND." In this case, the memory stores irradiation position IP2 and the search result "ND."

[0062] At the next irradiation position IP3, a laser having a reference laser power value (40) is irradiated. At irradiation position IP3, the peak base length exceeding the predetermined threshold within the target m / z range in the acquired one-shot waveform data is "3.42," so the peak base length is greater than the maximum value (1) of the target range. Therefore, to keep the peak base length within the target range, the laser power must be reduced. Therefore, the laser power is adjusted by subtracting 5 from the laser power value of 40. Subsequent operations are the same as those described above. At irradiation position IP3, a peak base length within the target range (0.67) is acquired when the laser power value is 35. At this time, the irradiation position IP3 and the laser power value of 35 are stored in the memory unit of the analysis support device 200b.

[0063] In this way, the search results for each of the irradiation positions IP1 to IP19 are stored in the memory unit of the analysis support device 200b. The sweet spot determination unit 2b4 determines a sweet spot based on the search results for each of the irradiation positions IP1 to IP19 stored in the memory unit. In this example, the smallest laser power value is obtained from the laser power values ​​associated with the irradiation positions IP1 to IP19, and the irradiation position associated with the obtained laser power value is determined as the sweet spot.

[0064] (2-2) Searching for the sweet spot 21 and 22 are flowcharts showing the sweet spot search of analysis support device 200b. In searching for the sweet spot, first, operation command unit 25b commands imaging of the sample in well WL (step S21). Control unit 130b of mass spectrometer 100b then causes imaging unit 140 to image the sample in well WL. Image data captured by imaging unit 140 is sent to data acquisition unit 21b of analysis support device 200b. Data acquisition unit 21b acquires the image data (step S22). Sample shape identification unit 2b1 identifies the shape of the sample from the image data (step S23). In this example, the outer peripheral shape Sh of the sample (see FIG. 18) is identified.

[0065] Next, the irradiation position setting unit 2b2 sets irradiation positions within the outer peripheral shape Sh and acquires the number L of set irradiation positions (step S24). In the example of FIG. 18, 19 irradiation positions arranged in an 8-pixel grid are set. The order of the irradiation positions to be irradiated with the laser in the sweet spot search is also determined. Next, the target peak width range setting unit 23b sets a target range of the peak base length in the sweet spot search (step S25). In the example of FIG. 20, the target range of the peak base length is 0.5 to 1.0. In the example of FIG. 19, irradiation is performed in the order of the irradiation positions IP1 to IP19. Next, the operation command unit 25b sets an initial value of the laser power in the sweet spot search (step S26). In the example of FIG. 20, the initial value of the laser power is 25. Here, the operation command unit 25b sets the variable m to 1 (step S27).

[0066] In this state, the control unit 130b of the mass spectrometer 100b is instructed to generate waveform data specifying the value of laser power for the irradiation position IPm, and the data acquisition unit 21b acquires the resulting waveform data (step S28). Here, the peak base length determination unit 27b determines whether the peak base length, which exceeds a predetermined threshold within the target m / z range in the one-shot waveform data within the waveform data acquired in step S28, satisfies a predetermined condition. The predetermined condition here is whether the peak base length value is greater than the minimum value of the target range (0.5 in the example of FIG. 20). If the peak base length does not satisfy the predetermined condition in step S29, a predetermined value is added to the laser power value (step S30), and the process returns to step S28. In this example, the value added to the laser power is 5. The operations of steps S28 to S30 are repeated until the peak base length satisfies the predetermined condition in step S29. If it is determined in step S29 that the peak base length satisfies the predetermined condition in step S29, the process proceeds to step S31 in FIG.

[0067] The operation command unit 25b sets the laser power value that satisfies a predetermined condition at the irradiation position IP1 as the reference value of the laser power (step S31). In the example of FIG. 20, the reference value of the laser power is 40. Next, the operation command unit 25b adds 1 to the variable m (step S32) and determines whether the variable m after the addition has reached the number L (19) of the irradiation positions (step S33). If the variable m after the addition has not reached the number L (19) of the irradiation positions, the operation command unit 25b commands the control unit 130b of the mass spectrometer 100b to irradiate the irradiation position IPm with the laser (waveform data generation operation), and the data acquisition unit 21b acquires the resulting waveform data (step S34).

[0068] Here, the peak base length determination unit 27b determines whether the peak base length exceeding a predetermined threshold within the target m / z range in the one-shot waveform data within the waveform data obtained in step S34 satisfies a predetermined condition (step S35). The predetermined condition here is whether the value of the peak base length is equal to or less than the maximum value of the target range (1.0 in the example of FIG. 20). If the peak base length does not satisfy the predetermined condition in step S35, a predetermined value is subtracted from the laser power value (step S36), and the process returns to step S34. In this example, the value subtracted from the laser power is 5. The operations of steps S34 to S36 are repeated until the peak base length satisfies the predetermined condition. If it is determined in step S35 that the peak base length satisfies the predetermined condition, the irradiation position IPm and the sweet-spot search result at that irradiation position IPm are stored in the memory unit of the analysis support device 200b (step S37). Here, the search result stored in the memory unit is the value of the peak base length if the value of the peak base length in step S35 is within the target range, and is "ND" if the value of the peak base length in step S35 is smaller than the minimum value of the target range.

[0069] In the example of Fig. 20, the sweet spot search result at irradiation position IP1 is 0.52, the sweet spot search result at irradiation position IP2 is ND, the sweet spot search result at irradiation position IP3 is 0.67, and the sweet spot search result at irradiation position IP4 is ND. Also, the sweet spot search result at irradiation position IP5 is 0.84, the sweet spot search result at irradiation position IP6 is 0.65, and the sweet spot search result at irradiation position IP7 is ND. Thereafter, the process returns to step S32. As a result, in step S33, the processes of steps S32 to S37 are repeated until variable m reaches the number L of irradiation positions (19).

[0070] In step S33, when the variable m reaches the number L (19) of irradiation positions, the sweet spot determination unit 2b4 determines the irradiation position IPm with the smallest laser power among the search results stored in the storage unit as the sweet spot (step S38). In the range shown in FIG. 20, the irradiation position IP6 is determined as the sweet spot. Finally, the display control unit 29b displays sweet spot information including information about the irradiation position IPm determined as the sweet spot on the display unit (step S39).

[0071] A user viewing the sweet spot information displayed on the display unit can adjust the mass spectrometer 100 so that the laser is irradiated onto the irradiation position IPm determined as the sweet spot.

[0072] (2-3) Effects of the Second Embodiment The analysis support device 200b makes it possible to search for the sweet spot using only one-shot waveform data, without using a mass spectrum obtained by integrating and averaging a larger number of one-shot waveform data. Therefore, it is not necessary to irradiate the sample SP1 with a laser many times to search for the sweet spot. This makes it possible to suppress deterioration of the sample SP1 before analysis. Furthermore, by using one-shot waveform data, the number of times waveform data generation operations are performed can be significantly reduced compared to acquiring a mass spectrum, significantly reducing the time required to search for the sweet spot.

[0073] (2-4) Another example of the second embodiment In the above-described analysis support device 200b, an example is described in which the display control unit 29b displays sweet spot information on the display unit. However, the display control unit 29b does not necessarily have to be used. In this case, for example, the coordinates of the irradiation position IPm determined as the sweet spot on the mounting unit PT may be provided to the control unit 130b, which controls the drive unit 150 to irradiate the laser at the irradiation position IPm determined as the sweet spot. In this case, it is possible to automatically search for the sweet spot and automatically adjust the position where the laser is irradiated. Furthermore, after searching for the sweet spot, the operation of calculating the optimal laser power value shown in FIGS. 14 and 15 may be performed. In this case, it is possible to calculate the minimum laser power to be irradiated to the sample.

[0074] (3) Correspondence between each component of the claims and each part of the embodiment The following describes an example of the correspondence between each component of the claims and each element of the embodiment. In the above embodiment, the peak base length calculation unit 26 is an example of a peak width calculation unit, the peak base length determination unit 27 is an example of a peak width determination unit, and the peak base length and the half width of the peak are examples of the width of the peak.

[0075] (4) Aspects It will be appreciated by those skilled in the art that the exemplary embodiments described above are examples of the following aspects.

[0076] (Item 1) An analysis support device according to one aspect of the present invention comprises: An analysis support device that supports the determination of analysis conditions for a mass spectrometer that acquires waveform data having peaks by irradiating a sample with a laser from an irradiation unit and then performing mass analysis, a peak width calculation unit that calculates the width of the peak in the waveform data acquired by the mass spectrometer; and a laser power adjustment unit that adjusts the value of the laser power of the laser irradiated from the irradiation unit onto the sample based on the width of the peak calculated by the peak width calculation unit.

[0077] The analysis support device described in paragraph 1 can determine whether the laser power is appropriate based on the width of the peak in the waveform data. Therefore, it is not necessary to use a mass spectrum obtained by integrating and averaging multiple waveform data to adjust the laser power. In other words, the number of times the laser is irradiated onto the sample during laser power adjustment can be significantly reduced. This reduces the time required to adjust the laser power while suppressing sample degradation before actual analysis in the mass spectrometer. Furthermore, because the laser power is automatically adjusted to an appropriate value, even inexperienced operators can easily operate the mass spectrometer. As a result, it is possible to quickly and appropriately analyze samples while improving the versatility of the mass spectrometer.

[0078] (Item 2) The analysis support device according to item 1, a peak width determination unit that determines whether the width of the peak calculated by the peak width calculation unit is within a first range, The laser power adjustment unit may adjust the value of the laser power so that the width of the peak in the waveform data falls within a first range.

[0079] According to the analysis support device described in paragraph 2, the laser power value is adjusted to a value that can generate waveform data in which the peak width falls within the first range. Therefore, it is possible to set the laser power value to an appropriate value with simple adjustment.

[0080] (Item 3) The analysis support device according to item 1 or 2, an operation command unit that commands the mass spectrometer to irradiate a laser; a data acquisition unit that acquires the waveform data from the mass spectrometer; a storage unit, the operation command unit sequentially commands the mass spectrometer to irradiate a laser having the laser power value adjusted by the laser power adjustment unit; the storage unit sequentially stores the waveform data acquired by the data acquisition unit; The laser power adjustment section may adjust the value of the laser power based on the amount of change in the width of the peak in the first waveform data and second waveform data generated after the first waveform data.

[0081] According to the analysis support device described in paragraph 3, it is possible to change the degree of adjustment of the laser power value depending on the amount of change in peak width for each waveform data, thereby making it possible to adjust the laser power value with simpler adjustments.

[0082] (4) The analysis support device according to the third aspect of the present invention the waveform data includes a plurality of peaks representing a plurality of components contained in the sample; a target m / z range selection unit for selecting a range of m / z values ​​within the waveform data; The peak width calculation unit may calculate a peak width from peaks within the m / z range selected by the target m / z range selection unit.

[0083] The positions of chemical noise such as impurities in waveform data often appear in a small m / z range within the waveform data. According to the analysis support device described in paragraph 4, the m / z range can be selected, so peaks within the small m / z range where peaks of chemical noise such as impurities appear are prevented from being used to calculate peak widths. Therefore, peaks of chemical noise such as impurities are prevented from being used to adjust the laser power value.

[0084] (Item 5) The analysis support device according to item 4, The peak width calculation unit may calculate the width of the largest peak among the peaks within the m / z range selected by the target m / z range selection unit.

[0085] According to the analysis support device described in paragraph 5, the width of the largest peak among the peaks within the selected m / z range is calculated, so that the width of the peak of the component derived from the sample can be calculated more appropriately. Therefore, even if the sample is unknown, the peak of the component derived from the sample can be automatically calculated appropriately.

[0086] (Item 6) The analysis support device according to item 5, The apparatus may further include an integrating unit that integrates and averages the waveform data, of the plurality of waveform data stored in the storage unit, whose peak width calculated by the peak width calculating unit satisfies a first condition.

[0087] According to the analysis support device described in item 6, only the waveform data whose peak width satisfies a predetermined condition is used as data to be integrated and averaged, so that it becomes possible to generate a more accurate mass spectrum.

[0088] (7) The analysis support device according to claim 1 or 2, an irradiation position setting unit that sets an irradiation position indicating a position on the sample where a laser is irradiated; a sweet spot determination unit; the irradiation position setting unit sets a plurality of the irradiation positions on the sample, the peak width calculation unit calculates a width of the peak of the waveform data corresponding to each of the plurality of irradiation positions by irradiating the plurality of irradiation positions with a laser; The sweet spot determination unit may determine a sweet spot from the plurality of irradiation positions based on the width of the peak of the waveform data corresponding to each of the plurality of irradiation positions calculated by the peak width calculation unit.

[0089] According to the analysis support device described in paragraph 7, it is possible to search for the sweet spot using waveform data without using mass spectrum. Therefore, in searching for the sweet spot, it is not necessary to irradiate the laser many times, which makes it possible to suppress deterioration of the sample before analysis.

[0090] (Item 8) The analysis support device according to item 7, an irradiation command unit that commands irradiation of the sample with a laser; a reference value acquiring unit that acquires a reference value indicating the smallest laser power value among laser power values ​​at which the width of the peak of the waveform data at one irradiation position among the plurality of irradiation positions falls within a predetermined second range, the irradiation command unit commands irradiation of a laser with a second value of laser power equal to or less than the reference value at another irradiation position different from the one irradiation position among the plurality of irradiation positions, The sweet spot determination unit may determine, as the sweet spot, a position where the width of the peak of the waveform data obtained by irradiating a laser with the second value of laser power falls within the second range.

[0091] According to the analysis support device described in paragraph 8, in the search for the sweet spot, laser light having a value greater than the reference value of laser power acquired by the reference value acquisition unit is not irradiated. Therefore, irradiation of the sample with a laser light having a high laser power is prevented, thereby suppressing deterioration of the sample due to the search for the sweet spot. Furthermore, in the search for the sweet spot, only laser light having a value smaller than the reference value of laser power is used, thereby limiting the range of laser power used in the search for the sweet spot. Therefore, the time required to search for the sweet spot can be shortened.

[0092] (Item 9) An analysis system according to another aspect of the present invention comprises: The analysis support device according to any one of claims 1 to 8 is provided.

[0093] According to the analysis system described in paragraph 9, it is possible to improve the versatility of the mass spectrometer.

[0094] (10) Another aspect of the present invention provides an analysis support method, An analysis support method for supporting determination of analysis conditions for a mass spectrometer that acquires waveform data having peaks by irradiating a sample with a laser from an irradiation unit and then performing mass analysis, comprising: calculating a width of the peak in the waveform data acquired by the mass spectrometer; and adjusting the value of the laser power of the laser irradiated from the irradiation unit onto the sample based on the width of the peak calculated in the calculating step.

[0095] The analysis support method described in paragraph 10 reduces the time required to adjust the laser power while suppressing sample degradation before analysis is actually performed in the mass spectrometer. Furthermore, because the laser power is automatically adjusted to an appropriate value, even inexperienced operators can easily operate the mass spectrometer. As a result, it is possible to analyze samples quickly and appropriately while improving the versatility of the mass spectrometer.

[0096] (Item 11) An analysis support program according to another aspect of the present invention comprises: An analysis support program that supports the determination of analysis conditions for a mass spectrometer that acquires waveform data having peaks by irradiating a sample with a laser from an irradiation unit and then performing mass analysis, A process of calculating a width of the peak of the waveform data acquired by the mass spectrometer; and adjusting the value of the laser power of the laser irradiated from the irradiation unit onto the sample based on the width of the peak calculated by the calculation process.

[0097] The analysis support program described in paragraph 11 reduces the time required to adjust the laser power while suppressing sample degradation before actual analysis by the mass spectrometer. Furthermore, because the laser power is automatically adjusted to an appropriate value, even inexperienced operators can easily operate the mass spectrometer. As a result, it is possible to analyze samples quickly and appropriately while improving the versatility of the mass spectrometer. [Explanation of symbols]

[0098] 20... integrating unit, 21, 21b... data acquisition unit, 22, 22a... target m / z range selection unit, 23, 23b... target peak width range setting unit, 24... laser power adjustment unit, 25, 25b... operation command unit, 26... peak base length calculation unit, 27, 27b... peak base length determination unit, 28... optimal value calculation unit, 29, 29b... display control unit, 100, 100b... mass spectrometer, 110, 110b... irradiation unit, 120... mass spectrometer unit, 130, 130b... control unit, 140... imaging unit, 150... drive unit, 200, 200b...analysis support device, 500, 500a, 500b...analysis system, 2b1...sample shape identification unit, 2b2...irradiation position setting unit, 2b3...reference value acquisition unit, 2b4...sweet spot determination unit, BL...baseline, CH...sample chamber, CN...chemical noise, D1...waveform data, D2...waveform data, D3...waveform data, LA...laser power adjustment value, PL...sample plate, PT...mounting unit, SP1...sample, SP2...sample, Sh...periphery shape, WL...well

Claims

1. An analysis support device that supports the determination of analysis conditions for a mass spectrometer that acquires waveform data having peaks by irradiating a sample with a laser from an irradiation unit and then performing mass analysis, a peak width calculation unit that calculates the width of the peak in the waveform data acquired by the mass spectrometer; and a laser power adjustment unit that adjusts the value of the laser power of the laser irradiated from the irradiation unit onto the sample based on the width of the peak calculated by the peak width calculation unit.

2. a peak width determination unit that determines whether the width of the peak calculated by the peak width calculation unit is within a first range, 2. The analysis support device according to claim 1, wherein the laser power adjustment unit adjusts the value of the laser power so that the width of the peak in the waveform data falls within the first range.

3. an operation command unit that commands the mass spectrometer to irradiate a laser; a data acquisition unit that acquires the waveform data from the mass spectrometer; a storage unit, the operation command unit sequentially commands the mass spectrometer to irradiate a laser having the laser power value adjusted by the laser power adjustment unit; the storage unit sequentially stores the waveform data acquired by the data acquisition unit; 3. The analysis support device according to claim 1, wherein the laser power adjustment unit adjusts the value of the laser power based on an amount of change in the width of the peak in the first waveform data and second waveform data generated after the first waveform data.

4. the waveform data includes a plurality of peaks representing a plurality of components contained in the sample; a target m / z range selection unit for selecting a range of m / z values ​​within the waveform data; 3. The analysis support device according to claim 1, wherein the peak width calculation unit calculates a peak width from peaks within the m / z range selected by the target m / z range selection unit.

5. 5. The analysis support device according to claim 4, wherein the peak width calculation unit calculates the width of the largest peak among the peaks within the m / z range selected by the target m / z range selection unit.

6. 6. The analysis support device according to claim 5, further comprising an integrating unit that integrates and averages the waveform data, of the plurality of waveform data stored in the memory unit, whose peak widths calculated by the peak width calculating unit satisfy a first condition.

7. an irradiation position setting unit that sets an irradiation position indicating a position on the sample where a laser is irradiated; a sweet spot determination unit; the irradiation position setting unit sets a plurality of irradiation positions on the sample, the peak width calculation unit calculates a width of the peak of the waveform data corresponding to each of the plurality of irradiation positions by irradiating the plurality of irradiation positions with a laser; 3. The analysis support device according to claim 1, wherein the sweet spot determination unit determines a sweet spot from the plurality of irradiation positions based on the width of the peak of the waveform data corresponding to each of the plurality of irradiation positions calculated by the peak width calculation unit.

8. an irradiation command unit that commands irradiation of the sample with a laser; a reference value acquiring unit that acquires a reference value indicating the smallest laser power value among laser power values ​​at which the width of the peak of the waveform data at one irradiation position among the plurality of irradiation positions falls within a predetermined second range, the irradiation command unit commands irradiation of a laser with a second value of laser power equal to or less than the reference value at another irradiation position different from the one irradiation position among the plurality of irradiation positions, 8. The analysis support device according to claim 7, wherein the sweet spot determination unit determines, as the sweet spot, a position where the width of the peak of the waveform data obtained by irradiating a laser having the second value of laser power falls within the second range.

9. An analysis system comprising the analysis support device according to claim 1 or 2.

10. An analysis support method for supporting determination of analysis conditions for a mass spectrometer that acquires waveform data having peaks by irradiating a sample with a laser from an irradiation unit and then performing mass analysis, comprising: calculating a width of the peak in the waveform data acquired by the mass spectrometer; and adjusting a laser power value indicating the intensity of the laser irradiated from the irradiation unit onto the sample based on the width of the peak calculated in the calculating step.

11. An analysis support program that supports the determination of analysis conditions for a mass spectrometer that acquires waveform data having peaks by irradiating a sample with a laser from an irradiation unit and then performing mass analysis, A process of calculating a width of the peak of the waveform data acquired by the mass spectrometer; and a process of adjusting a laser power value indicating the intensity of the laser irradiated from the irradiation unit onto the sample based on the width of the peak calculated by the calculating process.

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