JP6631373B2 - Data processing device - Google Patents

Description

  The present invention relates to a data processing device for automatically performing waveform processing on chromatogram data.

  2. Description of the Related Art Conventionally, when analyzing chromatogram data obtained by a chromatograph, a data processing device that automatically performs waveform processing has been used.

  Such a data processing device performs, for example, a process of detecting a peak in chromatogram data as a waveform process. Specifically, the data processing device recognizes (detects) a waveform from the start point to the end point as a peak by detecting the start point and end point of the peak in the chromatogram data. Then, the data processing device creates a baseline connecting the start point and the end point of the peak, and calculates the area of a region surrounded by the baseline and the peak. Such processing is automatically performed in the data processing device (for example, see Patent Document 1 below).

  The data processing device stores in advance various parameters for performing automatic waveform processing. Then, the data processing device compares each information (each point) on the chromatogram data with the parameter, and detects a portion satisfying the parameter.

  When such a data processing device is used, the processing result of the data processing device may be different from the content desired by the user. For example, the start point and the end point of the peak may be detected as being shifted from the original position. In this case, the user manually changes (corrects) the start point and the end point of the peak while checking the chromatogram displayed on the display unit or the like. Then, the user performs the analysis based on the accurate peak after the change.

JP-A-2004-271422

  In such a conventional data processing apparatus as described above, there is a risk that user operations may be complicated. Specifically, when the analysis operation is performed a plurality of times, the start point and the end point of the peak are detected as being deviated from appropriate positions repeatedly. Then, each time the analysis operation is performed, the user needs to manually change the start point and the end point of the peak. In addition, when the number of peaks included in the chromatogram data is large, or when the number of analysis operations is large, the user operation becomes more complicated.

  The present invention has been made in view of the above circumstances, and an object of the present invention is to provide a data processing device that can efficiently perform an operation of correcting data subjected to automatic waveform processing.

(1) A data processing device according to the present invention includes an automatic waveform processing unit, a storage unit, a display processing unit, and a manual waveform processing unit. The automatic waveform processing unit automatically detects, as a peak, a waveform of a portion satisfying a specific parameter from the chromatogram data. The storage unit stores the parameters used for processing by the automatic waveform processing unit. The display processing unit displays a peak detected by the automatic waveform processing unit on a display screen. The manual waveform processing unit, when a parameter of the peak is designated based on a manual operation by the user on the peak displayed on the display screen, stores the designated parameter in the storage unit. It is reflected in the parameters.

  According to such a configuration, the automatic waveform processing unit automatically detects a peak from the chromatogram data based on the parameters stored in the storage unit, and the detected peak is not suitable for analysis. If so, the user can correct the peak by performing a manual operation on the peak. Then, when a peak parameter is specified based on a manual operation by the user, the manual waveform processing unit reflects the specified parameter on the parameter stored in the storage unit.

That is, when the parameter stored in the storage unit is not an appropriate value, the manual waveform processing unit accepts the specification of the parameter accompanying the peak correction by the manual operation of the user, and reflects the specification in the parameter of the storage unit. Can be changed to an appropriate value. Then, when the waveform processing is performed thereafter, the peak is automatically detected by the automatic waveform processing unit based on the parameter having an appropriate value.
As described above, once the peak is manually corrected by the user, an accurate peak is then automatically detected based on the changed parameter.
Therefore, it is possible to prevent the user from performing a manual operation repeatedly.
As a result, the work of correcting the automatically waveform-processed data (chromatogram data) can be made more efficient.

(2) Further, the display processing unit may cause the parameter reflected by the manual waveform processing unit to be displayed on the display screen.

According to such a configuration, the user can confirm a parameter having an appropriate value on the display screen.
Specifically, when the user performs a manual operation on the peak displayed on the display screen and specifies the parameter of the peak, it is difficult to accurately confirm the parameter value reflecting the specification. There are cases. However, by displaying a parameter on which the designation is reflected on the display screen, the user can accurately confirm a parameter having an appropriate value.

(3) The parameter may include at least one of a slope of the waveform at the start point of the peak, a slope of the waveform at the end point of the peak, and a width between the start point and the end point. Good.

  According to such a configuration, a parameter of a type appropriate for automatically detecting a peak is specified by a user's manual operation, and is reflected in the parameter stored in the storage unit. Therefore, if the peak is automatically detected based on the parameter changed afterwards, the peak can be detected accurately from the chromatogram data.

  According to the present invention, when the parameter stored in the storage unit is not an appropriate value, the specification of the parameter accompanying the peak correction by the manual operation of the user is accepted, and the specification is reflected on the parameter of the storage unit to appropriately perform the correction. Value can be changed. Then, when performing waveform processing thereafter, peaks are automatically detected based on appropriate value parameters. Therefore, it is possible to prevent the user from performing a manual operation repeatedly. As a result, the work of correcting the data that has been subjected to the automatic waveform processing can be efficiently performed.

1 is a schematic diagram illustrating a data processing device according to an embodiment of the present invention and a configuration example of a gas chromatograph used with the data processing device. FIG. 2 is a block diagram showing a specific configuration of a control unit of the data processing device of FIG. 1 and members around the control unit. FIG. 9 is a schematic diagram showing an example of a display mode of a display screen, showing a display example when automatic waveform processing is performed based on parameters stored in a storage unit in advance. 5 is a flowchart illustrating an example of a process performed by a control unit. FIG. 9 is a schematic diagram showing an example of a display mode of a display screen, showing a display example when manual waveform processing is performed.

1. Overall Configuration of Gas Chromatograph FIG. 1 is a schematic diagram illustrating a configuration example of a data processing device 1 according to an embodiment of the present invention and a gas chromatograph 2 used with the data processing device 1.

  The data processing apparatus 1 is an apparatus for performing various data processing on data obtained by the gas chromatograph 2. The data processing device 1 is configured by, for example, a computer. The detailed configuration of the data processing device 1 will be described later.

The gas chromatograph 2 is for performing analysis by supplying a sample gas together with a carrier gas into the column 3, and includes a column oven 4, a sample introduction unit 5, a detector 6, and the like in addition to the column 3. I have.
The column 3 is, for example, a capillary column. The column 3 is housed in a column oven 4 together with a heater, a fan, and the like (neither is shown).
The column oven 4 is for heating the column 3 and drives a heater and a fan as needed during analysis.

The sample introduction unit 5 is for introducing a carrier gas and a sample gas into the column 3, and has a sample vaporization chamber (not shown) formed therein. A liquid sample is injected into the sample vaporization chamber, and the sample vaporized in the sample vaporization chamber is introduced into the column 3 together with the carrier gas. Further, a gas supply channel 7 and a split channel 8 communicate with the sample vaporization chamber.
The gas supply channel 7 is a channel for supplying a carrier gas into the sample vaporization chamber of the sample introduction unit 5.

  When the carrier gas and the sample gas are introduced into the column 3 by the split introduction method, a part of the gas in the sample vaporization chamber (mixed gas of the carrier gas and the sample gas) is externally separated at a predetermined split ratio. This is a flow path for discharging to

  The detector 6 includes, for example, a flame ionization detector (FID) and a flame photometric detector (FPD). The detector 6 sequentially detects each sample component contained in the carrier gas introduced from the column 3.

  When measuring a sample in the gas chromatograph 2, a sample to be analyzed is injected into the sample introduction unit 5. The sample is vaporized in a sample vaporization chamber. Further, a carrier gas is supplied to the sample vaporization chamber of the sample introduction unit 5 via a gas supply channel 7.

  The sample vaporized in the sample vaporization chamber is introduced into the column 3 together with the carrier gas. Each sample component contained in the sample is separated while passing through the column 3 and is sequentially introduced into the detector 6.

Then, the detector 6 sequentially detects each sample component contained in the carrier gas introduced from the column 3. Further, a detection signal from the detector 6 is input to the data processing device 1.
In the data processing device 1, a chromatogram is generated based on the input signal. Then, the user confirms the obtained chromatogram and performs various analyses.

2. Specific Configuration of Control Unit and Peripheral Members FIG. 2 is a block diagram showing a specific configuration of the control unit 14 of the data processing device 1 and its peripheral members.
The data processing device 1 includes an operation unit 11, a display unit 12, a storage unit 13, and a control unit 14.

The operation unit 11 includes, for example, a keyboard and a mouse. The user can input various information such as analysis conditions to the control unit 14 by operating the operation unit 11.
The display unit 12 is configured by, for example, a liquid crystal display. Various information such as an analysis result is displayed on the display unit 12 under the control of the control unit 14.

  The storage unit 13 includes, for example, a ROM (Read Only Memory), a RAM (Random Access Memory), and a hard disk. The storage unit 13 stores the detection data 131 and a plurality of parameters 132.

  The detection data 131 is chromatogram data (chromatogram data) generated based on a detection signal from the detector 6 by the data processing unit 141 described later.

  Each parameter 132 is numerical data (threshold) for specifying a peak in the chromatogram, and is stored in the storage unit 13 in advance. Specifically, the parameter 132 includes numerical data representing the slope of the waveform at the start point of the peak in the chromatogram, numerical data representing the slope of the waveform at the end point of the peak, and the difference between the start point and the end point of the peak. Numeric data representing the width between them is included.

  The control unit 14 is configured to include, for example, a CPU (Central Processing Unit). The control unit 14 can input or output an electric signal between the operation unit 11, the display unit 12, and the detector 6. The control unit 14 stores information in the storage unit 13 and reads out information stored in the storage unit 13 as necessary. The control unit 14 functions as a data processing unit 141, a display processing unit 142, an automatic waveform processing unit 143, a manual waveform processing unit 144, and the like when the CPU executes the program.

  The data processing unit 141 obtains a chromatogram based on the detection signal from the detector 6. The chromatogram data (chromatogram data) generated by the data processing unit 141 is stored in the storage unit 13 as detection data 131.

  The display processing unit 142 performs a process of displaying a chromatogram on the display unit 12 in real time based on the chromatogram data generated by the data processing unit 141. That is, when the chromatogram data is generated by the data processing unit 141, the data is stored in the storage unit 13 as the detection data 131 as described above, and the chromatogram is displayed on the display unit 12 in real time.

  The automatic waveform processing unit 143 reads out the detection data 131 and the parameter 132 stored in the storage unit 13 and automatically detects a waveform of a portion satisfying the parameter 132 from the detection data 131 (chromatogram data) as a peak. I do. Specifically, the automatic waveform processing unit 143 detects a start point and an end point of a peak in the chromatogram represented by the detection data 131 based on the parameter 132, and detects a point between the start point and the end point. It is detected whether the width is equal to or larger than a predetermined value.

  The manual waveform processing unit 144 receives a change (correction) relating to the peak of the chromatogram based on an operation of the operation unit 11 by a user, which will be described in detail later. Further, the manual waveform processing unit 144 reflects the received content on the parameter 132 stored in the storage unit 13.

  The display processing unit 142 performs a process of displaying the peak of the chromatogram detected by the automatic waveform processing unit 143 on the display unit 12 in addition to the above-described process. Further, the display processing unit 142 performs a process of correcting and displaying the peak of the chromatogram displayed on the display unit 12 based on the content received by the manual waveform processing unit 144.

3. Screen Configuration of Display Screen FIG. 3 is an example of a display mode of the display screen 121 and is a schematic diagram showing a display example when automatic waveform processing is performed based on a parameter 132 stored in the storage unit 13 in advance. It is.

The display unit 12 (see FIG. 2) includes a display screen 121.
The display screen 121 includes a chromatogram area 122 and a parameter area 123.

  The chromatogram area 122 is an area for displaying a chromatogram based on the detection data 131 stored in the storage unit 13. In the chromatogram region 122, the horizontal axis represents time, and the vertical axis represents signal intensity.

  The parameter area 123 is an area for displaying the parameters 132 stored in the storage unit 13. The parameter area 123 includes a first parameter display area 124, a second parameter display area 125, and a third parameter display area 126. The content displayed in each of the first parameter display area 124, the second parameter display area 125, and the third parameter display area 126 corresponds to each parameter 132 stored in the storage unit 123.

  The first parameter display area 124 is an area for displaying a numerical value of a slope of a waveform for detecting data on a chromatogram as a peak start point. That is, in the first parameter display area 124, a numerical value that is a threshold when detecting the start point of the peak in the chromatogram is displayed. Specifically, in the first parameter display area 124, the amount of increase (Slope) of the signal strength per unit time is displayed.

  The second parameter display area 125 is an area for displaying a numerical value of a slope of a waveform for detecting data on the chromatogram as an end point of a peak. That is, in the second parameter display area 125, a numerical value serving as a threshold value for detecting the end point of the peak in the chromatogram is displayed. Specifically, the amount of decrease (Slope) of the signal strength per unit time is displayed in the second parameter display area 125.

  The third parameter display area 126 is an area for displaying a numerical value of a width from a start point to an end point of a peak for detecting a waveform of a chromatogram as a peak. That is, in the third parameter display area 126, a numerical value serving as a threshold value for detecting a peak in the chromatogram is displayed. Specifically, the third parameter display area 126 displays the time (Width) from the start point to the end point of the peak.

4. Control Operation by Control Unit and Display Mode of Display Screen FIG. 4 is a flowchart illustrating an example of processing by the control unit 14.

  When an analysis operation is started in the data processing device 1 and the gas chromatograph 2, the data processing unit 141 (see FIG. 2) generates a chromatogram based on a detection signal from the detector 6. Then, although not shown, the display screen 121 displays a chromatogram in real time. The data of the generated chromatogram is stored in the storage unit 13 as the detection data 131.

  Then, when the operation unit 11 is operated by the user to perform an operation for waveform processing, the automatic waveform processing unit 143 reads out the detection data 131 and the parameter 132 stored in the storage unit 13 (Step S101). . Further, the display processing unit 142 displays the parameter 132 read by the automatic waveform processing unit 143 in the parameter area 123.

  Specifically, as shown in FIG. 3, the contents of the parameter 132 of the storage unit 13 are displayed in each of the first parameter display area 124, the second parameter display area 125, and the third parameter display area 126. In this example, “30” is displayed in the first parameter display area 124, “50” is displayed in the second parameter display area 125, and “5” is displayed in the third parameter display area 126.

Then, the automatic waveform processing unit 143 detects a peak in the chromatogram represented by the detection data 131 based on the content of the parameter 132 of the storage unit 13, that is, the content displayed in the parameter area 123 (step S102). ). Further, the display processing unit 142 displays the peak of the chromatogram detected by the automatic waveform processing unit 143 in the chromatogram area 122 of the display screen 121.
In this example, the display processing unit 142 causes the chromatogram region 122 to display a peripheral portion of the detected peak in the graph A representing the chromatogram corresponding to the detection data 131.

  Further, the automatic waveform processing unit 143 detects a portion (point) on the graph A that satisfies the condition displayed in the first parameter display area 124 as a peak start point B. Specifically, the automatic waveform processing unit 143 sets a point on the graph A where the tangent slope is a positive value and the absolute value of the slope (the numerical value of the waveform slope) is 30 as a peak. Is detected as the start point B.

  In addition, the automatic waveform processing unit 143 detects a portion (point) on the graph A that satisfies the condition displayed in the second parameter display area 125 as a peak end point C. Specifically, the automatic waveform processing unit 143 sets a point on the graph A where the slope of the tangent is a negative value and the absolute value of the slope (the numerical value of the slope of the waveform) is 50. Is detected as the end point C.

Further, when the width (time) from the start point to the end point of the detected peak satisfies the condition displayed in the third parameter display area 126, the automatic waveform processing unit 143 sets the waveform between them as a peak. To detect. Specifically, the automatic waveform processing unit 143 detects whether the time from the start point B to the end point C is 5 seconds or more. In this example, it is assumed that the time from the detected start point B to the detected end point C is 5 seconds or more. Therefore, the automatic waveform processing unit 143, in the graph A, detects the waveform from the start point B to the end point C as the peak P _1.

Then, the display processing unit 142 displays a baseline D connecting the start point B and the end point C in the chromatogram area 122. Accordingly, in the chromatogram region 122, one end (left end) of the baseline D is represented as a start point B, the other end (right end) of the baseline D is represented as an end point C, and one end (point B) of the baseline D is represented. ) waveforms until the other end (point C) are represented as the peak P ₁ from.
Further, the user checks the content displayed in the chromatogram area 122 and performs analysis.

Here, the user, when the peak P ₁ of the chromatogram (chart A) represented by the chromatogram area 122 is determined not to be appropriate, as follows, correct for peak P _1. In this example, since the end point C is a point shifted from the original position on the graph A, the user corrects the end point C by a manual operation as follows.

FIG. 5 is a schematic diagram showing an example of a display mode of the display screen 121, showing a display example when manual waveform processing is performed.
Specifically, the user operates the operation unit 11 to place a pointer (not shown) on the end point C. Then, the user selects a point E on the graph A after selecting the end point C by, for example, a drag operation. In this way, the user specifies to correct the end point of the peak on graph A from point C to point E (YES in step S103).

  Then, the manual waveform processing unit 144 receives the designation of the user, and reflects the content on the parameter 132 of the storage unit 13. Specifically, the manual waveform processing unit 144 extracts the inclination of the tangent to the point E in the graph A. Then, the manual waveform processing unit 144 reflects the extracted numerical value by overwriting the parameter 132 in the storage unit 13 (Step S104).

Further, the display processing unit 142 displays a baseline F connecting the start point B and the end point E in the chromatogram area 122. Thus, in the chromatogram region 122, one end (left end) of the baseline F is represented as a start point B, the other end (right end) of the baseline F is represented as an end point E, and one end (point B) of the baseline F is represented. ) waveforms until the other end (point E) is expressed as a peak P ₂ from.

  Further, the display processing unit 142 updates the display content of the parameter area 123 based on the parameter 132 overwritten in the storage unit 13 (Step S105). In this example, the display processing unit 142 causes the second parameter display area 125 to display “2”, which is the absolute value of the slope of the tangent to the end point E in the graph A (the numerical value of the slope of the waveform).

  In this example, since the start point B is not corrected, the display content of the first parameter display area 124 of the parameter area 123 is not changed. Similarly, since the width (time) from the start point B to the new end point E is not short, the display content of the third parameter display area 126 of the parameter area 123 is not changed.

  That is, although not shown, when the start point B is corrected by the user's operation of the operation unit 11 (manual operation), the content is reflected in the parameter 132 of the storage unit 13 and the corrected parameter 132 , The display of the first parameter display area 124 is updated. Similarly, when the corrected peak width is shorter than the width displayed in advance in the third parameter display area 126, the corrected peak width is reflected in the parameter 132 of the storage unit 13 and The display of the third parameter display area 126 is updated based on the corrected parameters 132.

  Then, when the waveform processing is started again, the peak of the chromatogram is automatically detected by the automatic waveform processing unit 143 based on the corrected parameter 132. Then, the detected peak is displayed in the chromatogram area 122 by the display processing unit 142.

5. Operation and Effect (1) In the present embodiment, as shown in FIG. 2, a case where a peak is automatically detected from chromatogram data based on the parameter 132 stored in the storage unit 13 by the automatic waveform processing unit 143 is described. If the detected peak is not suitable for analysis, the user can correct the peak by operating the operation unit 11 and performing a manual operation on the peak. Then, when a parameter of the peak is designated based on a manual operation by the user, the manual waveform processing unit 144 reflects the designated parameter on the parameter 132 stored in the storage unit 13.

  That is, when the parameter 132 stored in the storage unit 13 is not an appropriate value, the manual waveform processing unit 144 accepts designation of a parameter associated with peak correction by a user's manual operation, and stores the designation in the storage unit 13. The parameter 132 can be changed to an appropriate value by reflecting the parameter 132. Then, when the waveform processing is performed thereafter, the peak is automatically detected by the automatic waveform processing unit 143 based on the parameter 132 having an appropriate value (the corrected parameter 132).

Specifically, as shown in FIG. 5, once the peak is manually corrected by the user, the manual waveform processing unit 144 extracts a parameter having an appropriate value based on the correction by the manual operation. I do. Then, the extracted parameters are reflected in the parameters 132 of the storage unit 13. Thereafter, an accurate peak is automatically detected based on the changed (corrected) parameter 132.
Therefore, it is possible to prevent the user from performing a manual operation repeatedly.
As a result, the work of correcting the automatically waveform-processed data (chromatogram data) can be made more efficient.

(2) The display processing unit 142 displays a new parameter 132 on which the user's specification is reflected in the parameter area 123 of the display screen 121, as shown in FIG.
Therefore, the user can check the parameter 132 having an appropriate value on the display screen 121.
Specifically, when the user performs a manual operation on the peak displayed on the display screen 121 and specifies a parameter of the peak, it is necessary to accurately confirm the parameter value reflecting the specification. Can be difficult.
Therefore, by displaying a new parameter 132 in which the designation is reflected on the display screen 121 as in the present embodiment, the user can accurately confirm the parameter 132 having an appropriate value.

(3) The parameter 132 includes numerical data representing the slope of the waveform at the start point of the peak in the chromatogram, numeric data representing the slope of the waveform at the end point of the peak, and the data of the start point and end point of the peak. Numeric data representing the width between them is included.
Therefore, a parameter of a type appropriate for automatically detecting a peak is specified by a user's manual operation, and is reflected in the parameter 132 stored in the storage unit 13. Therefore, if the peak is automatically detected based on the subsequently changed parameter 132, the peak can be accurately detected from the chromatogram data.

6. Modification The parameter 132 described in the above embodiment, that is, the parameter 132 specified by the user's manual operation and reflected in the storage unit 13 is used for detection of all peaks in the subsequent waveform processing. The configuration is not limited. For example, the parameter 132 reflected in the specification in the storage unit 13 may be used only for detection of the peak of the same component in the subsequent waveform processing, or may be used for detection of the peak of another component in the same chromatogram. You may.

  In the above description, the data processing device 1 has been described as being used with the gas chromatograph 2. However, the data processing device 1 can be used with a device other than a gas chromatograph (GC). For example, the data processing device 1 can be used with a liquid chromatograph (LC), a liquid chromatograph mass spectrometer (LCMS), a gas chromatograph mass spectrometer (GCMS), or the like.

  In the above description, the parameter 132 includes numerical data representing the slope of the waveform at the start point of the peak in the chromatogram, numeric data representing the slope of the waveform at the end point of the peak, and the start point and end point of the peak. It has been described that numerical data representing the width between the values is included. However, the parameter 132 includes numerical data representing the slope of the waveform at the start point of the peak in the chromatogram, numeric data representing the slope of the waveform at the end point of the peak, and the width between the start point and the end point of the peak. It is sufficient that at least one of the numerical data representing the parameters is included, and other parameters may be included.

Reference Signs List 1 data processing device 13 storage unit 14 control unit 121 display screen 132 parameter 142 display processing unit 143 automatic waveform processing unit 144 manual waveform processing unit

Claims (3)

An automatic waveform processing unit that automatically detects, as a peak, a waveform of a portion satisfying a specific parameter from the chromatogram data,
A storage unit that stores the parameters used for processing by the automatic waveform processing unit,
A display processing unit for displaying the peak detected by the automatic waveform processing unit on a display screen,
Based on a manual operation by a user for correcting the peak itself displayed on the display screen, when the peak itself is corrected , the parameters of the corrected peak are extracted, and the extracted parameter is A data processing device comprising: a manual waveform processing unit configured to reflect the parameter in the parameter stored in the storage unit. The display processing unit, the data processing device according to the parameters reflected by said manual waveform processing section to claim 1, characterized in that to be displayed on the display screen.   The parameter may include at least one of a waveform slope at a peak start point, a waveform slope at a peak end point, and a width between the start point and the end point. 3. The data processing device according to 1 or 2.

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