Chromatographic data processing device, data processing method, and chromatographic analysis system
A chromatographic data processing device, data processing method, and chromatographic analysis system. When chromatographic analysis is performed, the data processing device obtains 3D data for time, wavelength, and strength from the PDA, and finds the assay value for the target component in the liquid sample by processing said data. If the peak top strength of the target component falls outside of the dynamic range, a dilution ratio for the liquid sample is determined by calculating the peak top strength of the target component using the ratio of the strength at the peak top wavelength on the spectrum for each point in time belonging to the peak to the strength of a separate wavelength.
1. A chromatograph analysis system comprising:
a chromatography instrument that performs 3D chromatography on a sample containing a target component to obtain 3D data for time, an analysis parameter, and a signal strength; and
a chromatographic data processing device comprising a processor configured to, based on receiving the 3D data for the time, the analysis parameter and the signal strength from the chromatography instrument:
a) set a peak top analysis parameter P1 for a peak top of a peak of the target component in a spectrum that traverses the peak top, and an analysis parameter P2 separate from the peak top analysis parameter P1, based on the 3D data,
b) calculate a ratio of the signal strength of the peak top analysis parameter P1 to the signal strength of the analysis parameter P2 for the spectrum at each of a plurality of time points within a time span under the peak,
c) set a correction value based on the calculated ratio of the signal strength at each of the plurality of time points within the time span,
d) determine an estimated value for the peak strength of the target component in a chromatogram at the peak top analysis parameter P1 based on the correction value and the peak strength of the target component in a chromatogram at the analysis parameter P2,
e) determine a concentration adjustment coefficient such that the value thereof, when multiplied by the estimated value, falls within a range from a designated lower strength value limit to an upper strength value limit for the 3D chromatography, and
f) adjust a concentration of the target component in the sample to an appropriate value based on the determined concentration adjustment coefficient.
2. The chromatographic analysis system set forth in claim 1 , wherein the processor is further configured to:
judge whether or not the peak top strength of the peak of the target component exceeds a designated upper limit value, and
in the event that the peak top strength exceeds the upper limit value, set the peak top analysis parameter P1 and an analysis parameter whose strength is no greater than the designated upper strength value limit and no less than the designated lower strength value limit as the analysis parameter P2.
3. The chromatographic analysis system as set forth in claim 1 , wherein the processor is further configured to:
g) perform 3D chromatography for the adjusted sample.
4. The chromatographic analysis system set forth in claim 1 , wherein the processor is further configured to: automatically set the correction value to a median of the ratio of the signal strength when the strength of the peak top analysis parameter P1 and the strength of the analysis parameter P2 fall within the scope of the dynamic range.
5. The chromatographic analysis system set forth in claim 1 , wherein the designated lower strength value limit and the upper strength value limit for the 3D chromatography are set in advance.
6. The chromatographic analysis system set forth in claim 1 , wherein the analysis parameter signifies at least one of wavelength, m/z (mass-to-charge) ratio or frequency.
7. The chromatographic analysis system set forth in claim 1 , wherein the analysis parameter is wavelength.
8. A chromatograph analysis system comprising:
a chromatography instrument that performs 3D chromatography on a sample containing a target component to obtain 3D data for time, an analysis parameter, and a signal strength; and
a chromatographic data processing device comprising a processor configured to, based on receiving the 3D data for the time, the analysis parameter, and the signal strength from the chromatography instrument:
a) seta peak top analysis parameter P1 for a peak top of a peak of the target component in a spectrum that traverses the peak top, and an analysis parameter P2 separate from the peak top analysis parameter P1, based on the 3D data,
b) calculate a ratio of the signal strength of the peak top analysis parameter P1 to the signal strength of the analysis parameter P2 for the spectrum at each of a plurality of time points within a time span under the peak,
c) plot a relationship between the signal strength ratio and the time points of the spectrums for which the signal strength ratio was found,
d) permit a user to select one value from among the plotted signal strength ratios as a correction value,
e) determine an estimated value for the peak strength of the target component in a chromatogram at the peak top analysis parameter P1 based on the correction value and the peak strength of the target component in a chromatogram at the analysis parameter P2,
f) determine a concentration adjustment coefficient such that the value thereof, when multiplied by the estimated value, falls within a range from a designated lower strength value limit to an upper strength value limit for the 3D chromatography, and
g) adjust a concentration of the target component in the sample to an appropriate value based on the determined concentration adjustment coefficient.
9. The chromatographic analysis system set forth in claim 8 , wherein the processor is further configured to:
judge whether or not the peak top strength of the peak of the target component exceeds a designated upper limit value, and
in the event that the peak top strength exceeds the upper limit value, set the peak top analysis parameter P1 and an analysis parameter whose strength is no greater than the designated upper strength value limit and no less than the designated lower strength value limit as the analysis parameter P2.
10. The chromatographic analysis system as set forth in claim 8 , further comprising
h) perform 3D chromatography for the adjusted sample.
11. A chromatographic data processing method comprising:
based on receiving 3D data for time, an analysis parameter, and a signal strength obtained from 3D chromatography performed for a sample containing a target component:
a) setting a peak top analysis parameter P1 for a peak top of a peak of the target component in a spectrum that traverses the peak top and an analysis parameter P2 separate from the analysis parameter P1, based on the 3D data,
b) calculating a ratio of the signal strength of the peak top analysis parameter P1 to the signal strength of the analysis parameter P2 for the spectrum at each of a plurality of time points within a time span under the peak,
c) setting the correction value based on the calculated signal strength ratio at each of the plurality of time points within the time span,
d) determining an estimated value for the peak strength of the target component in a chromatogram at the analysis parameter P1 based on the correction value and on the peak strength of the target component in a chromatogram at the analysis parameter P2,
e) determining a concentration adjustment coefficient such that the value thereof, when multiplied by the estimated value, falls within a range from a designated lower strength value limit to an upper strength value limit for the 3D chromatography, and
f) adjusting a concentration of the target component in the sample to an appropriate value based on the determined concentration adjustment coefficient.
12. The chromatographic data processing method set forth in claim 11 , further comprising:
judging whether or not the peak top strength of the peak of the target component exceeds a designated upper limit value, and,
in the event that the peak top strength exceeds the upper limit value, setting the peak top analysis parameter P1 and an analysis parameter whose strength is no greater than the designated upper strength value limit and no less than the designated lower strength value limit as the analysis parameter P2.
13. A chromatographic data processing method comprising:
based on receiving 3D data for time, an analysis parameter, and a signal strength obtained from 3D chromatography performed for a sample containing a target component:
a) setting a peak top analysis parameter P1 for a peak top of a peak of the target component in a spectrum that traverses the peak top, and analysis parameter P2 separate from the analysis parameter P1, based on the 3D data,
b) calculating a ratio of the signal strength of the peak top analysis parameter P1 to the signal strength of the analysis parameter P2 for the spectrum at each of a plurality of time points within a time span under the peak,
c) displaying a relationship between the signal strength ratio and the time points of the spectrums for which the signal strength ratio was found on a display screen,
d) permitting a user to select one value from among the signal strength ratios displayed on the viewing screen as a correction value,
e) determining an estimated value for the peak strength of the target component in a chromatogram at the peak top analysis parameter P1 based on the correction value and on the peak strength of the target component in a chromatogram at the analysis parameter P2,
f) determining the concentration adjustment coefficient such that the value thereof, when multiplied by the estimated value, falls within a range from a designated lower strength value limit to an upper strength value limit for the 3D chromatography, and
g) adjusting a concentration of the target component in the sample to an appropriate value based on the determined concentration adjustment coefficient.
14. The chromatographic data processing method set forth in claim 13 , further comprising:
judging whether or not the peak top strength of the peak of the target component exceeds a designated upper limit value, and
in the event that the peak top strength exceeds the upper limit value, setting the peak top analysis parameter P1 and an analysis parameter whose strength is no greater than the designated upper strength value limit and no less than the designated lower strength value limit as the analysis parameter P2.