JP5445149B2 - ANALYZER CONTROL SYSTEM AND PROGRAM FOR THE SYSTEM - Google Patents

Description

  The present invention relates to a system for controlling an analyzer and a program for the system. In particular, the present invention relates to a control system and a program for setting measurement conditions of an analyzer including or connected to a chromatograph.

In a chromatograph mass spectrometer in which a chromatograph and a mass spectrometer are combined, a sample separated temporally in the former chromatograph is continuously introduced into the latter mass analyzer, and mass spectrometry is performed (for example, Patent Document 1).
In the latter mass spectrometer, the same measurement is not performed on the entire sample that is introduced after being separated in time, but only in places where there is a change in the chromatogram, such as where there are peaks. In general, predetermined measurements are performed on the target, i.e., only on one or more time ranges.

  Therefore, in order to execute a desired analysis, a past chromatogram relating to the same sample is prepared, and a user sets which measurement is executed at which time while referring to the reference chromatogram. It is necessary to set the measurement time range.

  This time range setting operation is performed on a control application for controlling the analyzer. Conventionally, a user inputs a number indicating a time in a predetermined input field while referring to a reference chromatogram. I was going by. FIG. 7 shows a screen example of such a conventional analyzer control application. Here, in the left column of the screen, the chromatographic measurement time is divided into “Segment 1” = [0.000−10.000] (minutes) and “Segment 2” = [10.000−20.000] (minutes). In the example, the measurement of “event 1” and “event 2” is manually input in the “segment 2”.

  However, when setting the measurement conditions of a mass spectrometer in such a conventional chromatograph mass spectrometer, it is necessary to manually specify the measurement time range corresponding to a certain measurement condition, which makes the work complicated. In addition, there is a risk that an input error may occur. Therefore, the inventor of the present application has already made an invention for the purpose of providing an analyzer control system that allows the user to more easily understand and set measurement conditions in a simple manner, and filed an application prior to the present invention. (Japanese Patent Application No. 2009-209835). In this system, a graphical user interface as shown in FIG. 8 is provided, and the following effects are obtained.

Each measurement time range is superimposed on the reference chromatogram as a range bar in time and displayed on the display unit (monitor). The user can understand at a glance the relationship between the reference chromatogram and the measurement performed. Further, when a plurality of measurements are performed on one sample, the relationship between the plurality of measurements can be immediately understood visually. Therefore, the burden of setting measurement conditions can be reduced, and setting errors can be prevented.
Furthermore, by operating the input unit such as a mouse, the user can adjust the length of the range bar displayed on the display unit or change the temporal position, thereby changing the time range for performing the measurement. The time range can be set with a high degree of freedom, and the operability is higher than when the time range is manually input, and a reduction in setting mistakes can be expected.

JP 2005-083952 A

The measurement time range is normally set manually by the user based on his / her own experience while utilizing the conventional techniques as described above. However, when the resolution of the reference chromatogram is low, it is not easy to set an appropriate time range.
In addition, when there are a large number of peaks, it takes a lot of work to set an appropriate time range for each peak.

  The problem to be solved by the present invention is an analyzer that can appropriately set measurement conditions in an analyzer connected to a chromatograph that performs one or more measurements based on a reference chromatogram. To provide a program for a control system or an analyzer control system.

An analyzer control system configured to solve the above problems performs a predetermined measurement in each of one or a plurality of partial time ranges within the entire measurement time while temporally separating a measurement target sample by a chromatograph. A system for controlling the analytical device to
For all the peaks included in the reference chromatogram corresponding to the sample to be measured prepared in advance, or for each of the peaks specified in advance, if no other peak is superimposed on the peak, The measurement time setting for setting the width as the measurement time for the peak, and when the other peak is superimposed on the peak, the width of the peak including the width of the other peak is set as the measurement time for the peak With parts
The measuring time setting unit, as peaks superimposed, the maximum is characterized to Rukoto and target one by one peak before and after.

In addition, an analysis apparatus control system program for solving the above-described problems is obtained by performing predetermined analysis in each of one or a plurality of partial time ranges within the total measurement time while temporally separating a measurement target sample by a chromatograph. A program for a system for controlling an analyzer to perform the measurement of a computer, the computer executing the program,
For all the peaks included in the reference chromatogram corresponding to the sample to be measured prepared in advance, or for each of the peaks specified in advance, if no other peak is superimposed on the peak, If the width is the measurement time for the peak and another peak is superimposed on the peak, the maximum peak, one peak before and after, and the width of the other peak superimposed It is characterized by operating as a measurement time setting section for setting the width of the peak including that as a measurement time for the peak.

  The apparatus to be controlled by the analyzer control system according to the present invention is an apparatus that performs analysis or measurement on a sample temporally separated in a chromatograph, such as a liquid chromatograph mass spectrometer, for example. Anything can be used.

The analyzer control system according to the present invention can always set an appropriate measurement time when performing measurement on a measurement target sample separated by a chromatograph. At the same time, it is not necessary for the user to set the measurement time in detail, thereby saving labor.
Furthermore, since the number of measured peaks can be increased, the accuracy of peak detection can be improved.

The figure which shows schematic structure of one Embodiment of the analyzer control system which concerns on this invention. The flowchart which shows an example of the process which the program for analyzer control systems which concerns on this embodiment performs. An example of a chromatogram display screen. An example of a chromatogram display screen after measurement is input. The figure which shows typically operation | movement of a measurement time setting part. An example of the chromatogram display screen which shows the result of operation | movement of a measurement time setting part. A screen example of a conventional analyzer control application. The example of a screen of the other conventional analyzer control application.

  Hereinafter, an example of an embodiment of an analyzer control system according to the present invention will be described in detail with reference to the drawings.

FIG. 1 shows an embodiment of an analyzer control system 1 according to the present invention. Entity of the analyzer control system 1 is a computer, a central processing unit CPU (Central Processing Unit) memory 12 to 10, LCD (Liquid Crystal Display) made of such as a monitor (display unit) 14, a keyboard or a mouse Are connected to each other, and a storage unit 20 composed of a mass storage device such as a hard disk. The storage unit 20 is provided with an analyzer control system program 21 and a reference chromatogram storage unit 22. The storage unit 20 also stores an OS (Operating System) 23.

  The analyzer control system 1 according to the present embodiment has an interface (I / F) for direct connection with an external device and connection with a network such as a LAN (Local Area Network) with the external device. 18 is connected to the analyzer A1 which is a chromatograph mass spectrometer through the network cable NW from the I / F 18. Note that the analyzer control system according to the present invention need not be limited to a form connected to an analyzer provided outside via the I / F 18, and may be integrated with the analyzer.

  Further, in the analyzer control system 1 according to the present embodiment, the OS 23 and the analyzer control system program 21 are separated from each other. However, even if the analyzer control system program 21 is incorporated in a part of the OS 23. Of course.

  In FIG. 1 showing the analyzer control system 1 according to the present invention, a measurement time setting unit 31 is shown as related to the analyzer control system program 21. The measurement time setting unit 31 is basically realized by software by the CPU 10 executing the analyzer control system program 21. Hereinafter, the analysis device control system program 21 is simply abbreviated as “program 21” as appropriate.

  Next, the operation of the analyzer control system 1 according to the present embodiment will be described with reference to FIG. 2 which is a flowchart showing an example of processing executed by the analyzer control system program according to the present embodiment.

  First, the user commands the execution of the analyzer control system program 21 by appropriately operating the input unit 16 (for example, double-clicking on an icon displayed on the monitor 14) (step S1). Based on the execution instruction of the program 21 input in step S1, the CPU 10 executes the analyzer control system program 21.

  Next, when the user appropriately operates the input unit 16 (for example, by pressing a chromatogram selection button by operating a mouse), the program 21 is stored in a plurality of reference chromatogram storage units 22. The chromatogram is displayed as a chromatogram selection screen in a list format that can be selected by the user (step S2).

  On the chromatogram selection screen displayed in step S2, the user appropriately operates the input unit 16 (for example, selecting one from the compound list displayed on the chromatogram selection screen by operating the mouse). By doing so, a reference chromatogram corresponding to the sample to be measured is selected (step S3).

When a reference chromatogram is selected in the step S3, the program 21 reads data of the designated reference chromatogram among a plurality of reference chromatograms stored in advance in the reference chromatogram storage unit 22. As shown in FIG. 3, the data is read and displayed in the chromatogram display area 41 of the chromatogram display screen 4 (step S4). In addition to the chromatogram display area 41, a measurement addition button area 40 is displayed on the chromatogram display screen 4.

  In the chromatogram display area 41, the entire reference chromatogram is preferably displayed. However, when the reference chromatogram is long in the horizontal axis direction (that is, in the time direction) or when a certain part of the reference chromatogram is enlarged, only a part of the reference chromatogram is displayed. It may not be displayed in the display area 41. In such a case, the program 21 reads the reference chromatogram in the chromatogram display area 41 based on, for example, that a scroll instruction is input by the user (for example, a button for instructing rightward scrolling is pressed). The display position of is appropriately changed.

  Next, in step S5, when the user inputs a measurement time setting instruction (for example, by pressing a measurement time setting button (not shown) by operating the mouse), the measurement time setting unit 31 of the program 21 refers to A plurality of peaks included in the reference chromatogram are detected by performing waveform separation on the chromatogram for use (step S6). If peak information is already prepared for the reference chromatogram, in step S6, instead of performing waveform separation, processing for detecting a peak by reading available peak information may be performed. .

  In the next step S7, the measurement time setting unit 31 temporarily sets the peak width as the measurement time for each peak detected in step S6 (FIG. 4). However, the process of step S7 shifts to the subsequent process of step S8 in a very short time. Therefore, the screen as shown in FIG. 4 is not actually touched by the user.

  Note that the chromatogram display screen 4 in FIG. 4 has a measurement condition name display area 42 and a measurement condition setting area 43 compared to the chromatogram display screen 4 in FIG. 3 (ie, at the time when step S4 is completed). Is additionally displayed.

In step S7, when the measurement time setting unit 31 sets the measurement time for each peak, the measurement time range is superimposed on the reference chromatogram displayed in the chromatogram display area 41. A visually indicating range bar is set. In the example of FIG. 4, as shown in the measurement condition name display area 42, it is assumed that a total of seven measurements of measurement numbers 1 to 7 that are all “MRM” measurements are set. Then, the range bars B1 to B7 relating to each of these measurement numbers 1 to 7 are displayed superimposed on the reference chromatogram displayed in the chromatogram display area 41 in time (that is, in the horizontal axis direction). Yes. Each range bar B1 to B7 has a horizontal axis direction corresponding to the length of time each measurement is performed at a position corresponding to each time range described above on the time axis (horizontal axis) of the reference chromatogram. Shown with length.
Further, the range bars B1 to B7 corresponding to the respective measurement numbers 1 to 7 are arranged in the intensity axis direction (vertical axis direction) of the reference chromatogram on the chromatogram display area 41 so as not to overlap each other. It is displayed with a shift.

  In the next step S8, the measurement time setting unit 31 performs a characteristic operation with respect to each peak. Here, the processing executed by the measurement time setting unit 31 in steps S6 to S8 will be described in detail with reference to the schematic diagram shown in FIG.

  Here, it is assumed that the reference chromatogram includes four peaks, peak 1, peak 2, peak 3, and peak 4, as shown in FIG. In step S6, the measurement time setting unit 31 performs waveform separation to detect the presence of these four peaks. At this time, when separating each peak, the measurement time setting unit 31 also determines the width of each peak (the distance between both ends of the peak base).

  In step S7, the measurement time setting unit 31 temporarily sets the width as the measurement time for each peak separated in step S6, as shown in FIG. 5B. In FIG. 5B, the measurement times of (1) for peak 1, (2) for peak 2, (3) for peak 3, and (4) for peak 4 are set temporarily. It has been shown.

  Next, in step S8, the measurement time setting unit 31 determines whether or not there is a peak that is superimposed on each peak, and when another peak is superimposed, the peak of the peak superimposed on that peak is determined. Set (reset) the peak width including the width as the measurement time. For example, in FIG. 5B, peak 2 is superimposed on peak 1. Therefore, as the measurement time (1) for peak 1, as shown in FIG. 5C, the length from the left foot of peak 1 to the right foot of peak 2 is set. Further, peak 1 and peak 3 are superimposed on peak 2. Therefore, as the measurement time (2) for peak 2, as shown in FIG. 5C, the length from the left skirt of peak 1 to the right skirt of peak 3 is set. Peak 2 is superimposed on peak 3. Therefore, as shown in FIG. 5C, the length from the left skirt of peak 2 to the right skirt of peak 3 is set as the measurement time (3) for peak 3.

  In step S8, if there is no peak superimposed on a certain peak, the measurement time setting unit 31 changes the peak temporarily set in step S7 without changing the measurement time of the peak. Set the width as the measurement time. In FIG. 5, the peak 4 has no overlapping peak. Therefore, the measurement time (4) for the peak 4 is finally set to the width of the peak 4 as shown in FIG.

  FIG. 6 is an example of the chromatogram display screen 4 after resetting the measurement time for each peak as described above. It can be seen that an appropriate measurement time is set for each peak.

  As mentioned above, although the analyzer control system according to the present invention has been described using the embodiments, it is clear that the above is only an example, and changes, modifications, or additions are made as appropriate within the scope of the present invention. It doesn't matter. Some modifications are given below.

  In the above example, measurements were set for all peaks. However, first, on the chromatogram display screen 4, the user manually sets the measurement time for the peak to be measured, regards the measurement time as the temporarily set measurement time, and the measurement time setting unit 31 You may make it perform the process of step S8.

  In addition, the measurement time setting unit 31 may treat all the peaks superimposed on the peak for which the measurement time is set as the superimposed peaks in step S8, for example, superimposing one peak at a time before and after. Only the current peak may be the target for resetting the measurement time.

  Further, after the measurement time is set for each peak by the measurement time setting unit 31, the user may be able to manually change (reset) the measurement time. In this case, the system of Japanese Patent Application No. 2009-209835 filed in advance by the present inventor can be suitably used.

1 ... Analyzer control system 10 ... CPU
12 ... Memory 14 ... Monitor 16 ... Input unit 18 ... I / F
20 ... Storage unit 21 ... Analyzer control system program 22 ... Reference chromatogram storage unit 23 ... OS
31 ... Measurement time setting unit A1 ... Analyzer

Claims (2)

A system for controlling an analyzer to perform a predetermined measurement in each of one or a plurality of partial time ranges within a total measurement time while temporally separating a sample to be measured by a chromatograph,
For all the peaks included in the reference chromatogram corresponding to the sample to be measured prepared in advance, or for each of the peaks specified in advance, if no other peak is superimposed on the peak, The measurement time setting for setting the width as the measurement time for the peak, and when the other peak is superimposed on the peak, the width of the peak including the width of the other peak is set as the measurement time for the peak with a part,
The measuring time setting unit, the analyzer control system as peaks superimposed, maximum, wherein to Rukoto and target one by one peak before and after. This is a program for a system for controlling an analyzer to perform a predetermined measurement in each of one or a plurality of partial time ranges within the total measurement time while separating a sample to be measured by a chromatograph. A computer that executes the program,
For all the peaks included in the reference chromatogram corresponding to the sample to be measured prepared in advance, or for each of the peaks specified in advance, if no other peak is superimposed on the peak, If the width is the measurement time for the peak and another peak is superimposed on the peak, the maximum peak, one peak before and after, and the width of the other peak superimposed An analyzer control system program that operates as a measurement time setting unit that sets a peak width including a peak as a measurement time for the peak.