JP2004028864A - Data processing equipment for analyzers - Google Patents

Abstract

[PROBLEMS] To perform an analysis process using data of a plurality of analyses, for example, to read data into a table of general-purpose spreadsheet software and perform a calculation process based on a calculation formula set in the table. Was complicated.
Kind Code: A1 A custom parameter column is provided for each row (analysis) in a batch schedule table for setting a procedure of a continuous automatic data analysis process in advance, and calculation is performed in a setting window opened corresponding to the column. Enter and set the expression. In this calculation formula, not only the analysis data by the analysis of the row, but also the analysis data of another row and the waveform processing result by the data can be used.
[Selection diagram] FIG.

Description

[0001]
TECHNICAL FIELD OF THE INVENTION
The present invention relates to a data processing device for an analyzer that performs continuous automatic analysis processing by using data acquired through analysis of a plurality of samples (samples) or a plurality of data acquired in the past.
[0002]
[Prior art]
In an analyzer such as a chromatographic apparatus, when performing analysis and data analysis processing on a plurality of samples, an analysis schedule is specified in advance, samples are sequentially collected by an autosampler according to the schedule, the analysis is performed, and the analysis is performed. The analysis process is continuously performed using the data acquired by the above.
[0003]
In addition, the analysis of all the samples is performed first, and the data obtained by the analysis is stored in a storage device such as a hard disk. After all the analysis work is completed, the data is continuously analyzed by a batch process according to a predetermined schedule. Processing may be performed. Alternatively, even when the analysis process has been executed in the past, the past data stored in the storage device may be called up and the re-analysis process may be continuously performed by a batch process according to a schedule specified in advance. .
[0004]
In any case, in order to execute such continuous automatic analysis processing of multiple samples, a batch schedule table is created prior to the execution. The batch schedule table is a table that defines the procedure of the analysis process, and is a schedule table that describes sample names, sample IDs, method file names, data file names, and the like. Here, the method file name specifies a storage location of a file storing analysis conditions and the like in the analysis. The data file name mainly specifies a storage location of a file storing data acquired by past analysis. Of course, in addition to the above, the batch schedule table may include various information related to the analysis.
[0005]
Note that such a batch schedule table can be manually created by an operator using a data processing device (substantially, a personal computer). For example, if the technique disclosed in Japanese Patent Application Laid-Open No. 5-256840 is used, the analysis procedure can be changed. It can also be created automatically based on a set schedule table or the like. When the analysis processing according to such a batch schedule table is executed, the analysis data for a plurality of samples is read from the storage device in the order described in the table, and for example, a chromatogram for each analysis is created and drawn on a display screen. You.
[0006]
[Problems to be solved by the invention]
By the way, when performing the above-described data analysis processing, it is often desired to perform calculation processing or statistical analysis processing using data obtained by a plurality of analyzes and waveform processing results (for example, peak areas) based on the data. To give a simple example, there is a case where it is desired to obtain a difference between peak areas on a chromatogram obtained by different analyzes or to obtain an average value of peak areas on a chromatogram obtained by a plurality of analyzes. Conventionally, when such calculation processing is desired to be performed, for example, other general-purpose spreadsheet software (typically, Microsoft Excel) is used to send (export) data to a table by the software. ), And then the calculation process is executed in the table. However, such work is complicated and troublesome, which has been a factor in reducing the efficiency of the data processing work.
[0007]
The present invention has been made to solve such a problem, and an object of the present invention is to provide a data processing device for an analyzer that can improve the work efficiency of data analysis processing using a batch schedule table. Is to do.
[0008]
[Means for Solving the Problems and Effects]
The present invention has been made to solve the above-described problems. According to the present invention, there is provided a data processing method for an analyzer that performs continuous automatic analysis processing of analysis data obtained for a plurality of samples according to a batch schedule table created in advance. In the device,
a) For each analysis, a sample information description field for specifying a sample in the analysis, a data file information description field indicating the location of the analysis data, a calculation formula using the analysis data and other analysis data, Display means for displaying a batch schedule table provided with a calculation formula information description column showing information for specifying the calculation formula,
b) input means for inputting and setting a calculation formula or information for specifying the calculation formula in the calculation formula information description field in the batch schedule table displayed on the display means;
c) in the course of executing the data analysis process, an arithmetic processing means for performing an arithmetic process based on the calculation formula input or set in the calculation formula information column of the batch schedule table, or a calculation formula specified thereby.
It is characterized by having.
[0009]
As one mode, one analysis is associated with one row of the batch schedule table displayed on the screen of the display means, and the sample information description field, the data file information description field, and the calculation formula information description field are provided for each row. Can be provided respectively. In addition, for each row, not only one calculation formula or information for specifying the calculation formula but also a plurality of calculation formulas or information for specifying the calculation formula can be set in the calculation formula information description column. You may do so.
[0010]
According to the data processing device of the present invention, when a statistical analysis process or an arithmetic process using analysis data obtained by analysis of multiple samples is desired to be performed, the operator creates the batch schedule table in the same manner as creating a normal batch schedule table. What is necessary is to display on the screen of the display means, and input and set a desired calculation formula in the table in the calculation formula information description column. In the actual analysis processing, the arithmetic processing means reads out the analysis data and obtains the waveform processing result as set in the calculation formula information description column in the batch schedule table, and complies with the calculation formula. Perform arithmetic processing. Then, the calculation processing result is displayed or stored in the data file specified by the data file information set in the row.
[0011]
Therefore, even when performing arithmetic processing using analysis data of a plurality of samples, there is no need to use other general-purpose spreadsheet software as in the past, and data is transferred to such other software. Since there is no need to send out, the work of the operator is simplified, and errors can be reduced. Thereby, the data analysis processing operation can be performed efficiently.
[0012]
BEST MODE FOR CARRYING OUT THE INVENTION
Hereinafter, an LC analyzer will be described as an example of an analyzer including the data processing device according to the present invention.
[0013]
FIG. 1 is a schematic configuration diagram of the present LC analyzer. The configuration of this analyzer can be roughly divided into an LC analyzer that performs actual analysis on a liquid sample and collects data necessary for analysis, and performs a predetermined waveform processing and arithmetic processing on the collected data. And a data processing unit for deriving a qualitative analysis or a quantitative analysis result.
[0014]
In the LC analyzer, the eluent is sucked from the eluent (mobile phase) tank 1 by the operation of the liquid feed pump 2 and supplied to the column 5 via the auto injector 4 at a constant flow rate. The autosampler 3 selects a plurality of loaded samples in a predetermined order, and a sample of the selected sample is injected into the eluent by the autoinjector 4 at a predetermined timing. This sample is introduced into the column 5 on the eluent, and each component in the sample is temporally separated while passing through the column 5. The detector 6 sequentially detects the sample components eluted from the column 5 with the passage of time, and the detection signal is converted into a digital signal by the A / D converter 7 and then converted into a digital signal. (Referred to as “PC”) 8.
[0015]
In this analyzer, various data processing is realized by executing a predetermined program installed in the personal computer 8. Also, the personal computer 8 has a function of controlling the operation of each part of the LC analysis unit. Of course, the personal computer 8 has a well-known configuration, and includes an input unit 8a such as a keyboard and a mouse, and a display unit 8b such as a liquid crystal display. Note that the data processing unit does not use a general-purpose personal computer, but may be constituted by a dedicated data processing device (for example, a chromatopack manufactured by Shimadzu Corporation).
[0016]
When the analysis of a plurality of samples loaded in the autosampler 3 is continuously performed in the LC analyzer, the data acquired by the LC analysis unit is associated with each analysis (that is, the sample). It is stored in a storage device (generally, a hard disk). These analysis data are usually stored in different data files for each analysis.
[0017]
When analyzing multiple samples, data analysis processing is performed in parallel while performing analysis, or all analysis data is temporarily stored in a storage device, that is, analysis is completed, and data analysis is performed collectively after that There are cases where processing is executed. The case of executing the data re-analysis process is basically the same as the latter. In any case, when it is desired to perform continuous automatic data analysis processing, the operator creates a batch schedule table for designating the analysis processing procedure.
[0018]
Specifically, by performing a predetermined operation from the input unit 8a of the personal computer 8, a batch table setting screen 10 as shown in FIG. 2 is displayed on the screen of the display unit 8b. On the batch table setting screen 10, a batch schedule table 11 in which item columns such as a sample name, a sample ID, a sample type, a custom parameter, a method file, and a data file are provided in a horizontal direction is arranged. Here, the method file and the data file are as described above. The sample type is a choice between an unknown sample and a standard sample (known sample). The custom parameter is a characteristic item of the data processing apparatus, and is used to specify a calculation formula in the row.
[0019]
Now, in FIG. 2, when it is desired to input and set a calculation formula for the analysis whose sample name is “Vitamin S”, the cursor is moved to a position within the column 12 a of the line in the custom parameter frame 12 to start. Button 12b appears. Then, when the start button 12b is clicked, the custom parameter setting window 13 is opened in response to the operation, and is displayed superimposed on the batch schedule table 11 as shown in FIG. That is, the custom parameter setting window 13 corresponds to the first analysis in the batch schedule table 11.
[0020]
The custom parameter setting window 13 is provided with a calculation formula list 14 in which a title and a calculation formula are set as one set, and the operator inputs the title and the calculation formula in the calculation formula list 14 into the input unit 8a ( Keyboard). In this example, a calculation formula “Area (1) * 2” titled “Parameter1” and a calculation formula “Area (1) -Area (2)” titled “Difference1” are used. Is already entered. Here, the meaning of “Area (1) * 2” means that the peak area calculation result of analysis 1 (that is, analysis of sample name “vitamin S”) is multiplied by 2, and “Area (1) −Area (2) )) Means that the peak area calculation result of analysis 2 (analysis of sample name “case medicine 1”) is subtracted from the peak area calculation result of analysis 1 (analysis of sample name “vitamin S”).
[0021]
Therefore, “Parameter 1” uses only the data of analysis 1, whereas “Difference 1” is analysis using both data of analysis 1 and analysis 2. In this way, a calculation formula using data obtained by a plurality of analyzes can be freely set. It should be noted that the calculation formula here may include, in addition to the four arithmetic operations and other generally-known functions, a predetermined process such as the above-mentioned “Area”.
[0022]
When the input in the calculation formula table 14 is completed as described above, the user clicks the [OK] button 15. Then, the input in the calculation formula table 14 is determined and registered as a custom parameter for the analysis 1. When the registration is completed, the registered ““ title ”= calculation formula” is displayed in the column 12 a of the custom parameter frame 12. By clicking the scroll button 12c, all the contents can be confirmed. When the registration of the calculation formula is completed, an operation of closing the window 13 may be performed.
[0023]
Similarly to the above, the custom parameter of each row can be set appropriately. In this example, the maximum number of calculation formulas that can be set for one row is five, but this number is not limited to this.
[0024]
Also, the same calculation formula can be set in different rows. In that case, the calculation processing itself is the same, but the data file storing the calculation result is different. For example, in the example of FIG. 3, the calculation result of the calculation formula of “Area (1) -Area (2)” is stored in a file named “VITAS.dat1”. If the same calculation formula is also set for the custom parameter in the row, the calculation result is stored in a file named “COLD2.dat2”. Therefore, the operator inputs and sets a calculation formula in the custom parameter column of a desired row, not from the viewpoint of which analysis data is to be used, but from the viewpoint of which analysis data file the operation result is to be stored. Just fine.
[0025]
In this way, the batch schedule table 11 including the necessary custom parameters is completed, and then the continuous automatic analysis process is performed according to the batch schedule table 11. In the continuous automatic analysis process, a calculation formula registered as a custom parameter is used in the process of sequentially performing the analysis process of each row of the batch schedule table. However, the basic analysis process is performed in the order of analysis specified in the batch schedule table 11, that is, in order from the top. However, as described above, the calculation formula set in the custom parameter includes other analysis. May be included. For example, the calculation formula “Area (1) -Area (2)” uses the waveform processing result based on the analysis data of the second “case medicine 1”, so that the calculation process using such a calculation formula is necessary for the calculation. It will be executed when all the necessary data are collected.
[0026]
It should be noted that the above embodiment is merely an example, and it is apparent that modifications and modifications can be made as appropriate within the scope of the present invention.
[Brief description of the drawings]
FIG. 1 is a schematic configuration diagram of an LC analyzer that is an example of an analyzer including a data processing device according to the present invention.
FIG. 2 is an example of a display screen of a data processing unit (personal computer).
FIG. 3 is an example of a display screen of a data processing unit (personal computer).
[Explanation of symbols]
DESCRIPTION OF SYMBOLS 1 ... Mobile phase tank 2 ... Liquid sending pump 3 ... Auto sampler 4 ... Auto injector 5 ... Column 6 ... Detector 7 ... A / D converter 8 ... Personal computer (data processing part)
8a ... input unit 8b ... output unit 11 ... batch schedule table 12 ... custom parameter column 13 ... custom parameter setting window 14 ... calculation formula list table 15 ... [OK] button

Claims (2)

According to a batch schedule table created in advance, in a data processing device for an analyzer that performs continuous automatic analysis processing of analysis data obtained for a plurality of samples,
a) For each analysis, a sample information description field for specifying a sample in the analysis, a data file information description field indicating the location of the analysis data, a calculation formula using the analysis data and other analysis data, Display means for displaying a batch schedule table provided with a calculation formula information description column showing information for specifying the calculation formula,
b) input means for inputting and setting a calculation formula or information for specifying the calculation formula in the calculation formula information description field in the batch schedule table displayed on the display means;
c) in the course of executing the data analysis processing, an arithmetic processing means for performing an arithmetic processing based on a calculation formula input or set in the calculation formula information description column of the batch schedule table, or a calculation formula specified thereby;
A data processing device comprising: The data processing device for an analyzer according to claim 1, wherein the analyzer is a chromatographic device.

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