A sample separation apparatus for separating a fluidic sample includes an initial dimension sample separation device configured for separating the fluidic sample, a subsequent dimension sample separation device configured for further separating separated fluidic sample received from the initial dimension sample separation device, a purity detector configured for detecting information indicative of a purity of a portion of the fluidic sample which has been separated by the initial dimension sample separation device, and a control unit configured for controlling, depending on the detected information, whether or not further separation of the portion of the fluidic sample which has been separated by the initial dimension sample separation device is carried out by the subsequent dimension sample separation device.

An object is to accurately detect peaks of various compositions, even in a case of unseparated peaks in which peaks of a plurality of compositions are superimposed. A computer acquires waveform data D1 having a peak P1 in a composition A measured by a data analysis device (S10). Next, the computer acquires waveform data D2 having a peak P2 in a composition B measured by the data analysis device (S20). Next, waveform data D12 including unseparated peaks by superimposing the waveform data D1 including the acquired peak P1 and the waveform data D2 including the acquired peak P2 (S30) is generated. Next, the generated waveform data D12 of the unseparated peaks is input as learning data, and the waveform data D1 and D2 corresponding to the waveform data D12 are input as training data in Step S40. Next, machine learning is performed using the waveform data D12, D1, and D2, and a learned model for estimating an accurate separation method of unseparated peaks is constructed based on the trained result (S50).

A confirmation ion ratio allowable value calculation unit calculates a confirmation ion ratio allowable value when a target ion and confirmation ions are interchanged based on a preset confirmation ion ratio allowable value, and a peak identification processing unit identifies mass peaks of the target ion and the confirmation ions based on the confirmation ion ratio allowable value. A peak waveform processing unit calculates peak areas of the target ion and the confirmation ions, and a calibration curve creation unit creates calibration curves for quantification based on the target ion and the confirmation ions from a peak area of a target compound included in a standard sample. A quantitative value calculation unit obtains quantitative values while referring to a calibration curve corresponding to a peak area for a target compound included in an unknown sample. A quantitative analysis result display processing unit displays the quantitative values and chromatogram peak waveforms.

An evaluation section identifies, in a list of candidate compounds, a group of candidate compounds having the degree of reverse similarity greater than or equal to a threshold s1. When all candidates in the group of candidate compounds have differences between the degrees of similarity that are greater than or equal to a threshold s2, the evaluation section judges that there is a composite state. The difference between the degrees of similarity is computed by subtracting the degree of forward similarity from the degree of reverse similarity. The similarity ratio may be used in place of the difference between the degrees of similarity.

A method of determining an identity of a first analyte in a sample is described that includes passing the first analyte through a chromatographic column and detecting a signal curve of the first analyte by a chromatographic detector, wherein the signal curve includes a peak profile of the first analyte. The peak profile is defined by a plurality of measured data points configured to plot onto a signal coordinate system. The method further includes normalizing the peak profile of the first analyte to form a normalized peak profile, wherein the normalized peak profile includes scaling the plurality of measured data points, and wherein the normalized peak profile is defined by a plurality of normalized data points configured to plot onto a normalized coordinate system, and comparing the normalized peak profile of the first analyte with a normalized peak profile of a second analyte.

Disclosed is a method for the determination of impurities in polyalkylene ethers and polyalkylene amines comprising the steps i) introducing polyalkylene ethers or polyalkylene amines as an analyte into a chromatography column containing monolithic silica gel as a stationary phase, ii) eluting the analyte with a liquid elution agent having such a polarity that the analyte is in adsorptive equilibrium with the stationary phase during chromatography, iii) detecting the components of the analyte at the exit-side end of the chromatography column, receiving a chromatogram, which shows different components of the analyte and its qualitative amount depending on the elution time of the individual components, and iv) identifying bands in the chromatogram having a low height or area compared to the band with the largest height or area as an indication of the presence of impurities in the analyte.

The method allows in an easy manner to identify impurities in the sample. The method can be used for quality control but also for the preparative cleaning of the sample.

A chromatogram data processing system having an impurity detector including a differential chromatogram creator, a purity curve creator and a determiner. The differential chromatogram creator calculates a differential coefficient of an absorbance spectrum with respect to wavelength at a local maximum or local minimum absorption wavelength of the target component, and creates a differential chromatogram which shows a temporal change of the differential coefficient. The purity curve creator creates a purity curve which shows a temporal change of the difference between the degree of similarity of a spectrum on the target peak to a reference spectrum and a threshold of the degree of similarity which is determined taking into account the influence of noise components. The differential chromatogram and the purity curve are displayed on a display unit in a superposed form on a wavelength chromatogram created by a wavelength chromatogram creator.

A method, mass spectrometer and computer readable medium for acquiring mass spectral data; comprising acquiring mass spectral data in a raw profile mode; selecting a relevant time window for presence of compounds of interest; performing multivariate statistical analysis of mass spectral raw profile mode data in a time window to determine the number of compounds present; computing a pure profile mode mass spectra for all compounds of interest corresponding to their respective separation time profiles or time locations; searching a mass spectral library for the identification of the compounds; and adding the correctly identified compounds and corresponding profile mode mass spectra to existing mass spectral library and/or newly created profile mode mass spectral library. Implementation can be on a server located amongst a network, such as the internet, of computers, devices, and MS instruments. Users are exposed to advertising relevant to the compounds analyzed and can obtain subscriptions to library updates.

A confirmation ion ratio allowable value calculation unit calculates a confirmation ion ratio allowable value when a target ion and confirmation ions are interchanged based on a preset confirmation ion ratio allowable value, and a peak identification processing unit identifies mass peaks of the target ion and the confirmation ions based on the confirmation ion ratio allowable value. A peak waveform processing unit calculates peak areas of the target ion and the confirmation ions, and a calibration curve creation unit creates calibration curves for quantification based on the target ion and the confirmation ions from a peak area of a target compound included in a standard sample. A quantitative value calculation unit obtains quantitative values while referring to a calibration curve corresponding to a peak area for a target compound included in an unknown sample. A quantitative analysis result display processing unit displays the quantitative values and chromatogram peak waveforms.

The disclosure discloses a sample analyzer and a sample analysis system. The sample analyzer includes a first specimen supply device, a chromatographic separation device and a first controller. The chromatographic separation device is controlled by the first controller to elute and chromatograph a first specimen in a first operation mode and to elute and chromatograph a second specimen in a second operation mode. The first controller is configured to: analyze feedback information from the chromatographic separation device in the first operation mode to obtain a parameter of glycosylated hemoglobin in the first specimen and a conclusion as to whether an interfering substance exists in the first specimen, and to analyze feedback information from the chromatographic separation device in the second operation mode to obtain a parameter of glycosylated hemoglobin in the second specimen and a parameter of an interfering substance in the second specimen.