Peak assigning method, assigning program and assigning device

Abstract

A peak assigning apparatus for assigning peaks of a FP configured by peaks and retention time points of the peaks detected from a chromatogram of a multicomponent material includes a peak pattern preparing part preparing a peak pattern for each peak of the target FP and a reference FP that comprises n+1 peaks including n peaks being present on at least one of sides located in front and in the rear of each peak in a time axis direction, and a peak assigning part specifying the peaks corresponding to each other by comparison of the peak patterns.

1 . A peak assigning method for a target pattern of an evaluation target whose peaks change in a time series, comprising:
 a peak pattern preparing step preparing individual peak patterns, for each peak, of the target pattern and a reference pattern that corresponds to the target pattern and is evaluation criteria, with use of n+1 peaks that include n peaks being present on at least one of sides located in front and in the rear of each peak in a time axis direction; and   a peak assigning step comparing the individual peak patterns to specify corresponding peaks.   
     
     
         2 . The method according to  claim 1 , wherein
 the target pattern and the reference pattern are patterns that are acquired by composing a plurality of patterns at different detection wavelengths.   
     
     
         3 . The method according to  claim 1 , wherein
 the target pattern and the reference pattern are prepared by extracting all the peaks of a chromatogram of the evaluation target.   
     
     
         4 . The method according to  claim 1 , wherein
 the reference pattern is a pattern appropriate as an assignment opponent selected from a plurality of reference patterns by comparison with a retention time appearance pattern of the target pattern.   
     
     
         5 . The method according to  claim 1 , wherein
 the peak pattern preparing step comprehensively prepares peak patterns for both a peak being an assignment target of the target pattern and a peak being an assignment candidate of the reference pattern by changing peaks configuring the peak patterns.   
     
     
         6 . The method according to  claim 1 , wherein
 the peak pattern preparing step prepares the peak patterns for all the peaks of the target pattern and the reference pattern.   
     
     
         7 . The method according to  claim 1 , wherein
 the peak assigning step calculates a degree of matching between the individual peak patterns from all peaks configuring the peak patterns and the retention time points thereof.   
     
     
         8 . The method according to  claim 1 , wherein
 the target pattern and the reference pattern are configured by adding UV spectra of peaks to the peaks detected from a 3D chromatogram of the evaluation target at a specific wavelength and retention time points of the peaks, and   the peak assigning step performs the specifying of the peaks in consideration of comparison between the UV spectra of the peaks of the target pattern and the reference pattern.   
     
     
         9 . The method according to  claim 8 , wherein
 the peak assigning step sets the comparison as a degree of matching.   
     
     
         10 . The method according to  claim 9 , wherein
 the peak assigning step performs the specifying of the peaks based on a degree of matching of the peaks calculated by synthesizing a degree of matching between the individual peak patterns calculated from all peaks configuring the peak patterns and the retention time points thereof and a degree of matching between the UV spectra.   
     
     
         11 . The method according to  claim 1 , wherein
 the peak assigning step performs the specifying with respect to all the peaks of the target pattern and the reference pattern.   
     
     
         12 . The method according to  claim 1 , wherein
 the peak assigning step specifies the peaks of the target pattern by associating the peaks of the target pattern assigned to the reference pattern with respective peaks of a reference group pattern that is based on the plurality of reference patterns.   
     
     
         13 . The method according to  claim 1 , wherein
 the target pattern is a target FP that is configured by peaks detected from a chromatogram of a multicomponent material that is an evaluation target and retention time points of the peaks, and   the peak preparing step sets a reference FP of a multicomponent material that is evaluation criteria as the reference pattern.   
     
     
         14 . The method according to  claim 13 , wherein
 the multicomponent material is a multicomponent drug.   
     
     
         15 . The method according to  claim 14 , wherein
 the multicomponent drug is one of a crude drug, a combination of crude drugs, an extracts thereof, and a kampo medicine.   
     
     
         16 . A computer-readable storage medium storing a peak assigning program for a target pattern of an evaluation target whose peaks change in a time series to that causes a computer to execute functions comprising:
 a peak pattern preparing function preparing individual peak patterns, for each peak, of the target pattern and a reference pattern that corresponds to the target pattern and is evaluation criteria, with use of n+1 peaks that include n peaks being present on at least one of sides located in front and in the rear of each peak in a time axis direction; and   a peak assigning function comparing the individual peak patterns to specify corresponding peaks.   
     
     
         17 . The program storage medium according to  claim 16 , wherein
 the target pattern and the reference pattern are patterns that are acquired by composing a plurality of patterns at different detection wavelengths.   
     
     
         18 . The program storage medium according to  claim 16 , wherein
 the target pattern and the reference pattern are prepared by extracting all the peaks of a chromatogram of the evaluation target.   
     
     
         19 . The program storage medium according to  claim 16 , wherein
 the reference pattern is a pattern appropriate as an assignment opponent selected from a plurality of reference patterns by comparison with a retention time appearance pattern of the target pattern.   
     
     
         20 . The program storage medium according to  claim 16 , wherein
 the peak pattern preparing function comprehensively prepares peak patterns for both a peak being an assignment target of the target pattern and a peak being an assignment candidate of the reference pattern by changing peaks configuring the peak patterns.   
     
     
         21 . The program storage medium according to  claim 16 , wherein
 the peak pattern preparing function prepares the peak patterns for all the peaks of the target pattern and the reference pattern.   
     
     
         22 . The program storage medium according to  claim 16 , wherein
 the peak assigning function calculates a degree of matching between the individual peak patterns from all peaks configuring the peak patterns and the retention time points thereof.   
     
     
         23 . The program storage medium according to  claim 16 , wherein
 the target pattern and the reference pattern are configured by adding UV spectra of peaks to the peaks detected from a 3D chromatogram of the evaluation target at a specific wavelength and retention time points of the peaks, and   the peak assigning function performs the specifying of the peaks in consideration of comparison between the UV spectra of the peaks of the target pattern and the reference pattern.   
     
     
         24 . The program storage medium according to  claim 23 , wherein
 the peak assigning function sets the comparison as a degree of matching.   
     
     
         25 . The program storage medium according to  claim 24 , wherein
 the peak assigning function performs the specifying of the peaks based on a degree of matching of the peaks calculated by synthesizing a degree of matching between the individual peak patterns calculated from all peaks configuring the peak patterns and the retention time points thereof and a degree of matching between the UV spectra.   
     
     
         26 . The program storage medium according to  claim 16 , wherein
 the peak assigning function performs the specifying with respect to all the peaks of the target pattern and the reference pattern.   
     
     
         27 . The program storage medium according to  claim 16 , wherein
 the peak assigning function specifies the peaks of the target pattern by associating the peaks of the target pattern assigned to the reference pattern with respective peaks of a reference group pattern that is based on the plurality of reference patterns.   
     
     
         28 . The program storage medium according to  claim 16 , wherein
 the target pattern is a target FP that is configured by peaks detected from a chromatogram of a multicomponent material that is an evaluation target and retention time points of the peaks, and   the peak preparing function sets a reference FP of a multicomponent material that is evaluation criteria as the reference pattern.   
     
     
         29 . The program storage medium according to  claim 28 , wherein
 the multicomponent material is a multicomponent drug.   
     
     
         30 . The program storage medium according to  claim 29 , wherein
 the multicomponent drug is one of a crude drug, a combination of crude drugs, an extracts thereof, and a kampo medicine.   
     
     
         31 . A peak assigning device for a target pattern of an evaluation target whose peaks change in a time series, comprising:
 a peak pattern preparing part preparing individual peak patterns, for each peak, of the target pattern and a reference pattern that corresponds to the target pattern and is evaluation criteria, with use of n+1 peaks that include n peaks being present on at least one of sides located in front and in the rear of each peak in a time axis direction; and   a peak assigning part comparing the individual peak patterns to specify corresponding peaks.   
     
     
         32 . The device according to  claim 31 , wherein
 the target pattern and the reference pattern are patterns that are acquired by composing a plurality of patterns at different detection wavelengths.   
     
     
         33 . The device according to  claim 31 , wherein
 the target pattern and the reference pattern are prepared by extracting all the peaks of a chromatogram of the evaluation target.   
     
     
         34 . The device according to  claim 31 , wherein
 the reference pattern is a pattern appropriate as an assignment opponent selected from a plurality of reference patterns by comparison with a retention time appearance pattern of the target pattern.   
     
     
         35 . The device according to  claim 31 , wherein
 the peak pattern preparing part comprehensively prepares peak patterns for both a peak being an assignment target of the target pattern and a peak being an assignment candidate of the reference pattern by changing peaks configuring the peak patterns.   
     
     
         36 . The device according to  claim 31 , wherein
 the peak pattern preparing part prepares the peak patterns for all the peaks of the target pattern and the reference pattern.   
     
     
         37 . The device according to  claim 31 , wherein
 the peak assigning part calculates a degree of matching between the individual peak patterns from all peaks configuring the peak patterns and the retention time points thereof.   
     
     
         38 . The device according to  claim 31 , wherein
 the target pattern and the reference pattern are configured by adding UV spectra of peaks to the peaks detected from a 3D chromatogram of the evaluation target at a specific wavelength and retention time points of the peaks, and   the peak assigning part performs the specifying of the peaks in consideration of comparison between the UV spectra of the peaks of the target pattern and the reference pattern.   
     
     
         39 . The device according to  claim 38 , wherein
 the peak assigning part sets the comparison as a degree of matching.   
     
     
         40 . The device according to  claim 39 , wherein
 the peak assigning part performs the specifying of the peaks based on a degree of matching of the peaks calculated by synthesizing a degree of matching between the individual peak patterns calculated from all peaks configuring the peak patterns and the retention time points thereof and a degree of matching between the UV spectra.   
     
     
         41 . The device according to  claim 31 , wherein
 the peak assigning part performs the specifying with respect to all the peaks of the target pattern and the reference pattern.   
     
     
         42 . The device according to  claim 31 , wherein
 the peak assigning part specifies the peaks of the target pattern by associating the peaks of the target pattern assigned to the reference pattern with respective peaks of a reference group pattern that is based on the plurality of reference patterns.   
     
     
         43 . The device according to  claim 31 , wherein
 the target pattern is a target FP that is configured by peaks detected from a chromatogram of a multicomponent material that is an evaluation target and retention time points of the peaks, and   the peak preparing part sets a reference FP of a multicomponent material that is evaluation criteria as the reference pattern.   
     
     
         44 . The device according to  claim 43 , wherein
 the multicomponent material is a multicomponent drug.   
     
     
         45 . The device according to  claim 44 , wherein
 the multicomponent drug is one of a crude drug, a combination of crude drugs, an extracts thereof, and a kampo medicine.