JP4285131B2 - Analytical data processing equipment - Google Patents

Description

[0001]
BACKGROUND OF THE INVENTION
The present invention relates to a data processing apparatus for an analytical instrument such as a spectrophotometer.
[0002]
[Prior art]
In recent years, various analytical instruments execute a dedicated control / processing program on a general-purpose personal computer (PC), thereby processing data acquired by the analytical instrument, controlling the measurement operation of the analytical instrument, and the like. A lot of things. In such an analysis system, advanced and complex data processing is possible, and it is also easy to add functions such as creating reports (reports) that freely combine graphs and tables obtained by data analysis. .
[0003]
For example, Non-Patent Document 1 discloses data processing / control software in a spectroscopic analysis system using an ultraviolet-visible spectrophotometer. That is, this system includes software for performing various measurements such as spectrum measurement, kinetics (time feed) measurement, and photometric (quantitative) measurement and data processing, and software for creating a report. In the report creation function, the operator selects an appropriate template from a plurality of report templates prepared in advance according to the purpose. In each template, data obtained by various measurement / analysis processes as described above, specifically, a spectrum, a peak table as a result of the peak detection process of the spectrum, a calibration curve graph for quantitative analysis, A standard sample data table, which is data for drawing a calibration curve, is linked so as to be pasted in the report as an object. Therefore, after performing the necessary measurements and data processing using the various measurement software described above, the acquired data (graphs, tables, etc.) can be automatically selected by selecting an appropriate report template using the report creation function. The report is completed in a format that can be pasted automatically. And a report can be obtained as printed matter by printing this.
[0004]
[Non-Patent Document 1]
"All-in-one software UVProbe", Shimadzu UV-Visible Spectrophotometer UV-2450 UV-2550 catalog, Shimadzu Corporation, p.6-7
[0005]
[Problems to be solved by the invention]
When creating a report with the report creation function, even before a graph or table created on other measurement software is saved as a file on a storage device such as a hard disk drive, such data is included in the report. It is possible to use. However, due to some operator error or other external factors (such as a power failure), the data may be deleted / erased without being saved, or edited, etc. If the report is altered, there is a situation in which a report remains as a printed matter and no electronic record regarding the data at the time of printing exists in the storage device.
[0006]
If the US Food and Drug Administration (FDA) is trying to comply with regulations 21CFR Part 11 (regulations related to electronic records and electronic signatures) recently issued, the data included in the printed materials such as reports Are also obliged to be stored completely in electronic form. However, in the conventional data processing apparatus, there is a problem that a situation in which the printed matter and the electronic data do not coincide with each other in the above-described case, and there is a possibility that the regulation is not met.
[0007]
The present invention has been made to solve such a problem, and the object of the present invention is to ensure that various data included in a report as a printed matter acquired by an operator is stored as electronic data. An object of the present invention is to provide a data processing apparatus for an analytical instrument that can be guaranteed.
[0008]
[Means for Solving the Problems]
In order to solve the above problems, the present invention creates a report describing various data such as measurement data obtained by measurement with an analytical instrument and analysis data obtained by processing the measurement data. In a data processing apparatus of an analytical instrument having a function of printing
a) a storage confirmation unit that determines whether or not various data described in the report have been stored in a nonvolatile storage device in response to an instruction to print the report;
b) A storage for storing the unsaved data in a non-volatile storage device prior to the printing operation or at the same time as the printing operation at the latest when the storage confirmation means determines that at least a part of the data is unsaved. Execution means;
It is characterized by having.
[0009]
BEST MODE FOR CARRYING OUT THE INVENTION
In the data processing apparatus according to the present invention, various data such as measurement data and analysis data can be combined into one report by an operator's operation, but a print instruction is given after such report creation work. The storage confirmation means a) determines whether or not various data included in the report to be printed has been stored in a non-volatile storage device (in most cases, a hard disk drive built in a personal computer). To do. If some of these data has not yet been stored in the storage device and is stored in a temporary storage element (usually RAM), unintended situations such as power outages There is a risk that the data will be lost without being saved due to the program termination operation or the like. Therefore, when there is unsaved data, the save executing means b) automatically saves the unsaved data in the storage device prior to the printing operation or at the same time as the printing operation at the latest. Thereby, when the operator obtains the report as a printed matter, the various data included in the report are always stored in the storage device.
[0010]
Therefore, according to the data processing apparatus of the analytical instrument according to the present invention, even if an external factor such as some operational error or power failure occurs after the report is printed, the electronic data corresponding to the data included in the printed report Such records are always stored in a storage device such as a hard disk drive, and can comply with US Food and Drug Administration regulations. In addition, the storage of such data is automatically performed as needed without relying on the operator's work, so it can be concentrated on the original measurement work without any burden on the worker. There is also an effect.
[0011]
In the data processing apparatus of the analytical instrument according to the present invention,
c) Prior to execution of the measurement and processing for acquiring the various data, the worker is requested to input storage time information including a storage destination and a file name at the time of storage in the nonvolatile storage device. Storage information requesting means to request,
d) control means for permitting execution of the measurement and processing only after the storage time information is acquired;
It is preferable to further comprise
[0012]
Here, the storage-time information requesting means c) can be specifically a means for performing a display requesting input of storage-time information on a display screen, for example. That is, according to this configuration, when printing of a report is instructed, even if there is unsaved data described in the report, the storage destination (for example, folder) and file name of the data are already determined. As a result, unsaved data can be automatically assigned a file name and stored in the storage location.
[0013]
As a specific example, in a spectrophotometer, for example, the measurement of sequentially measuring photometric values at a plurality of specified wavelengths, or a plurality of unknown samples using existing or newly created calibration curves. In the quantitative analysis process in which the concentration is sequentially calculated from the photometric values, the contents may be added to a predetermined table line by line each time data is acquired. In such a case, conventionally, the file name of the data file is given only when the finally completed table is stored in the storage device. Therefore, even if a report is instructed in the middle of such measurement, the data cannot be stored in a storage destination intended by the operator. On the other hand, according to the above configuration, data can be automatically saved with the intended file name attached to the storage destination intended by the operator.
[0014]
【Example】
A spectroscopic measurement system including an embodiment of a data processing apparatus according to the present invention will be described with reference to FIGS.
[0015]
As shown in FIG. 1, the spectroscopic measurement system according to the present embodiment controls the spectroscopic measurement unit 1 for performing spectroscopic measurement on a sample and acquiring measurement data, and the operation of the spectroscopic measurement unit 1. It comprises a data processing / control unit 2 that receives measurement data and executes various data processing. The data processing / control unit 2 includes a central control unit 20 centering on the CPU, a memory (RAM) 21 for temporarily storing data during various processes in the central control unit 20, a data storage unit and a later description. A storage device 22 such as a hard disk drive (HDD) for storing various programs, an input unit 23 that is a pointing device such as a keyboard or a mouse, a display unit 24 that is a CRT or LCD, a printing unit 25 that is a printer, Etc. as hardware, an operating system (OS) is installed in this personal computer, and a predetermined processing / control program is operated on the OS, thereby achieving various functions relating to processing / control.
[0016]
FIG. 2 is a block diagram showing the characteristic functions executed by the central control unit 20 by the processing / control program. That is, as a measurement / processing function unit 30 that performs measurement and processing by exchanging signals with the spectroscopic measurement unit 1, a spectrum measurement function unit 31, a kinetics measurement function unit 32, and a photometric measurement function unit 33 are provided independently. A report creation function unit 34 is provided to create a report using various data acquired by the measurement / processing function unit 30. The report creation function unit 34 holds a number of templates in the template storage unit 35 according to the type and purpose of the report to be created. Details of the template will be described later.
[0017]
In the spectroscopic measurement system of the present embodiment having the above-described configuration, an example of a procedure for performing a quantitative measurement on an unknown sample, creating a report, and outputting the report as a printed matter is described with reference to FIGS. explain. FIG. 3 is a flowchart showing the procedure, and FIG. 4 is a conceptual diagram for explaining the processing operation.
[0018]
First, the spectrum of the unknown sample to be analyzed is measured using the spectrum measurement function unit 31 (step S1). That is, the operator sets a wavelength range, a wavelength step, and the like as measurement parameters for spectrum measurement using the input unit 23 and instructs the start of measurement. In response to this, under the control of the central control unit 20, the spectroscopic measurement unit 1 performs scan measurement on the unknown sample and acquires a photometric value for each predetermined wavelength step. In the data processing / control unit 2, a spectrum 311 such as an absorption or transmission spectrum is created based on the photometric value and displayed on the screen of the display unit 24. Further, when the peak detection process is designated, the peak is automatically determined from the spectrum curve, and the peak table 312 in which the wavelength of the peak position is listed is created.
[0019]
The data sent from the spectroscopic measurement unit 1 at the time of spectrum measurement as described above is temporarily stored in the memory 21. When acquisition of such data is completed, the data is stored on the screen of the display unit 24. When a dialog box instructing input of the file name and storage location (save destination folder, etc.) is opened and the operator inputs the file name and storage location, the file is stored in the area corresponding to the storage location in the storage device 22. The data file is stored with the name attached (step S2).
[0020]
The operator confirms the spectrum 311 and the peak table 312 on the screen of the display unit 24, and determines an appropriate wavelength λ for creating a calibration curve (step S3). Usually, the wavelength of the maximum peak appearing in the spectrum is specified, but it is not limited to this. Once the wavelength λ is determined, next, measurement parameters are set by the input unit 23 to perform measurement using the photometric measurement function unit 33, and the start of measurement is instructed (step S4). Then, prior to the start of measurement, a dialog box for instructing input of a file name for storing photometric measurement data and a storage location (such as a storage destination folder) appears on the screen of the display unit 24 (step S5). When the operator inputs an appropriate file name and storage location from the input unit 23 (step S6), measurement is started under the control of the central control unit 21.
[0021]
That is, the spectroscopic measurement unit 1 measures the photometric values when the concentration of the standard sample is changed in a plurality of stages at the designated wavelength λ, and measures the photometric values of the unknown sample at the designated wavelength λ. (Steps S7 and S8). As a result, the data processing / control unit 2 creates a standard sample table 331 that lists the relationship between the concentration and the photometric value, and an unknown sample table 332 that lists the photometric value of one or more unknown samples. Displayed on the screen. Thereafter, a calibration curve 333 is created using the photometric value of the standard sample (step S9), and the sample concentration, that is, a quantitative value is calculated from the photometric value of the unknown sample with reference to the calibration curve 333 (step S10). . At this stage, the data obtained by the photometric measurement exists in a state of being temporarily stored in the memory 21 unless the operator performs a data storage operation. At this time, for example, the memory device 22 may be temporarily used because the memory 21 is full, but this is temporary storage instead of the memory 21 and what is called “save”. Different.
[0022]
After such measurement, the operator uses the report creation function unit 34 to create a report regarding analysis. At this time, an appropriate one is selected from a large number of report templates prepared in the template storage unit 35 (step S11). Of course, the operator may decide the report layout without using an existing template. In the report template, as shown in FIG. 4, a plurality of (4 in this example) link object pasting frames are set in advance within a prescribed frame, and each link object frame has the above spectrum measurement and kinetic measurement. Alternatively, it is set to call and paste each of the above data, file names, etc. obtained by photometric measurement. In the example shown in FIG.
Link object 1: File name of data file B Link object 2: Spectrum 311 of data file A
Link object 3: calibration curve 333 of data file B
Link object 4: unknown sample table 332 of data file B
Are set as objects. Since link objects differ for each report template, an appropriate template may be selected according to the purpose of the report and the type of measurement.
[0023]
Furthermore, in addition to the data pasted by the link object, text data such as an appropriate comment sentence can be written in this report, so the operator inputs such data as necessary (step) S12). When the report creation is completed, in order to output the report from the printing unit 25, the operator gives an instruction for printing from the input unit 23 (step S13). Upon receiving this instruction, the central controller 20 determines whether or not the data described in the report includes unsaved data (step S14). In this case, since it is determined that the data file B is unsaved, the process proceeds to step S15 and the unsaved data is stored in the storage device 22. Even if the data is not stored, since the file name and the storage location are already determined in step S6, the storage can be automatically executed without asking the operator for any instruction here. When the storage is completed, printing is executed immediately after that (step S16). On the other hand, if it is determined in step S14 that there is no unsaved data, printing is executed as it is.
[0024]
As described above, in the spectroscopic measurement system according to the present embodiment, when printing of a report is instructed, it is checked whether or not the data described in the report is unsaved. The data storage operation is automatically performed, that is, without the operator's operation, and then printing is performed. Therefore, when a report is obtained as a printed matter, the data described in the report is always stored in the storage device 22, and the data corresponding to the report can be left as an electronic record.
[0025]
In the above embodiment, the procedure is to create a report after photometric measurement is completed. For example, when measuring a number of unknown samples in order and obtaining a quantitative result, measurement of other unknown samples is performed. If the measurement of the desired unknown sample is completed, the printing of the report may be instructed and executed even if the measurement is not completed. In such a case, the data acquired up to that point is temporarily stored in a preset storage location.
[0026]
Moreover, the said Example is only an example of this invention, Even if it changes suitably, amends, and is added in the range of the meaning of this invention, it is naturally included in this invention.
[Brief description of the drawings]
FIG. 1 is a schematic configuration diagram of a spectroscopic measurement system which is an embodiment to which a data processing apparatus according to the present invention is applied.
FIG. 2 is a block configuration diagram showing characteristic functions executed by a central control unit in the spectroscopic measurement system of the present embodiment.
FIG. 3 is a flowchart showing a procedure until a report including a quantitative measurement result is output as a printed matter in the spectroscopic measurement system of the present embodiment.
FIG. 4 is a conceptual diagram for explaining a processing operation in the spectroscopic measurement system of the present embodiment.
[Explanation of symbols]
DESCRIPTION OF SYMBOLS 1 ... Spectroscopic measurement part 2 ... Data processing / control part 20 ... Central control part 21 ... Memory 22 ... Memory | storage device 23 ... Input part 24 ... Display part 25 ... Printing part 30 ... Measurement / processing function part 31 ... Spectrum measurement function part 32 ... Kinetics measurement function unit 33 ... Photometric measurement function unit 34 ... Report creation function unit 35 ... Template storage unit

Claims (2)

In a data processing apparatus of an analytical instrument having a function of printing various data such as measurement data acquired by measurement with an analytical instrument and analysis data obtained by processing the data, and printing the report,
a) a storage confirmation unit that determines whether or not various data described in the report have been stored in a nonvolatile storage device in response to an instruction to print the report;
b) A storage for storing the unsaved data in a non-volatile storage device prior to the printing operation or at the same time as the printing operation at the latest when the storage confirmation means determines that at least a part of the data is unsaved. Execution means;
A data processing apparatus for an analytical instrument, comprising: c) Prior to execution of the measurement and processing for acquiring the various data, the worker is requested to input storage time information including a storage destination and a file name at the time of storage in the nonvolatile storage device. Storage information requesting means to request,
d) control means for permitting execution of the measurement and processing only after the storage time information is acquired;
The data processing apparatus for an analytical instrument according to claim 1, further comprising:

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