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Data processing method of gas chromatography-mass spectrometry (GC-MS) analysis

A technology of gas chromatography and data processing, applied in the direction of analyzing materials, material separation, measuring devices, etc., can solve the problems of inability to realize reversible reproduction of electronic original records, long time-consuming manual processing, lagging data processing, etc., to reduce data proofreading and audit time, saving manpower and time, and the effect of rapid processing

Active Publication Date: 2014-07-02
PETROCHINA CO LTD +1
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  • Summary
  • Abstract
  • Description
  • Claims
  • Application Information

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Problems solved by technology

[0005] First of all, relying on manpower for data transmission and data processing of a large amount of test data is prone to errors, which requires data proofreading, which wastes a lot of manpower and time; secondly, manual qualitative confirmation of test data depends entirely on the experience of testers, which is prone to errors. And it takes a lot of time; third, manual processing takes a long time, the speed of data processing lags behind the detection progress of GC-MS analyzer seriously, and the cycle of providing test reports to customers is long; finally, data review is still electronic original records The audit of paper original records after being output to paper media, paper original records can only reflect the final status of data changes (especially qualitative confirmation), when data correction is required after the audit, electronic original records during processing cannot be realized reversible reproduction of

Method used

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  • Data processing method of gas chromatography-mass spectrometry (GC-MS) analysis
  • Data processing method of gas chromatography-mass spectrometry (GC-MS) analysis
  • Data processing method of gas chromatography-mass spectrometry (GC-MS) analysis

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Embodiment 1

[0026] The embodiment of the present invention provides a data processing method for GC-MS analysis, see figure 1 , the method flow is as follows:

[0027] 101: Obtain GC-MS detection data of the sample;

[0028] 102: Qualitative confirmation of the components of the test data;

[0029] 103: Summarize the test data that are qualitatively confirmed as "true";

[0030] 104: Perform data analysis on the summarized test data to obtain sample results;

[0031] 105: Output the data and sample results during data processing as electronic original records.

[0032] The method provided by the embodiment of the present invention saves manpower and time, and avoids the possibility of errors in the process of manual data transfer and processing through the rapid batch import, qualitative confirmation, data summary and analysis of GC-MS detection data It reduces the time for data proofreading and review, realizes accurate and fast processing of GC-MS detection data, and realizes revers...

Embodiment 2

[0034] The embodiment of the present invention provides a data processing method for GC-MS analysis, which is realized by a compiled EXCEL application file containing VBA (Microsoft Visual Basic for Applications) macro code. The file includes 6 worksheets, specifically :

[0035] The worksheet "Data" stores the imported sample detection data of gas chromatography-mass spectrometry, including data file name, sample name, quantitative compound name, retention time, peak area (or peak height), quantitative result, matching degree, etc. Store the results of qualitative confirmation of sample components;

[0036] Worksheet "Con", which stores the qualitatively confirmed test data;

[0037] The worksheet "MidRes" stores intermediate calculation results and serves as a data source for quality control statistics;

[0038] Worksheet "Result", which stores the final sample results;

[0039] Worksheet "MDL", which stores the instrument detection limit and method detection limit of the...

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Abstract

Belonging to the field of data processing, the invention discloses a data processing method of gas chromatography-mass spectrometry (GC-MS) analysis. The method comprises: acquiring GC-MS detection data of a sample; conducting qualitative confirmation on components of the detection data; summarizing the detection data identified as genuine through qualitative confirmation; carrying out data analysis on the summarized detection data so as to obtain a sample result; and outputting the data in the data processing process and the sample result as electronic original records. Through rapid batch import, qualitative confirmation, data summarization and analysis of GC-MS detection data, the method of the invention saves manpower and time, avoids the possibility of errors occurring during manual data transmission and processing, and reduces the time of data check and verification, thus realizing accurate and rapid processing of GC-MS detection data, as well as reversible recurrence of the electronic original records in the processing process.

Description

technical field [0001] The invention relates to the field of data processing, in particular to a data processing method for gas chromatography-mass spectrometry analysis. Background technique [0002] At present, GC-MS (Gas Chromatography-Mass Spectrometry, Gas Chromatography-Mass Spectrometry) analysis method has become the first choice for the detection of VOCs (Volatile Organic Compounds, volatile organic compounds) and SVOCs (Semivolatile Organic Compounds, semi-volatile organic compounds) in different matrices. The main method, GC-MS analyzer is also widely used in detection, such as the US Agilent6890 / 5973N GC-MS analyzer. GC-MS analysis can simultaneously detect many components and a large amount of data, and has strong timeliness for the detection of organic pollutants. [0003] For a complete chemical analysis measurement process, especially the measurement process of instrument analysis, the end of the instrument measurement does not mean the completion of the mea...

Claims

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Application Information

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Patent Type & Authority Patents(China)
IPC IPC(8): G01N30/86G01N30/72
Inventor 陈宏坤刘玉龙缪德仁刘菲崔翔宇陈昌照王文思
Owner PETROCHINA CO LTD
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