COMPUTER-IMPLEMENTED METHOD FOR DETECTING AT LEAST ONE INTERFERENCE AND/OR AT LEAST ONE ARTEFACT IN AT LEAST ONE CHROMATOGRAM

    公开(公告)号:US20230251233A1

    公开(公告)日:2023-08-10

    申请号:US18124837

    申请日:2023-03-22

    CPC classification number: G01N30/8631 G01N30/7233 G01N30/8693 G01N2030/027

    Abstract: A computer-implemented method for detecting at least one interference and/or at least one artefact in at least one chromatogram determined by at least one mass spectrometry device (110) is proposed. The chromatogram comprises a plurality of raw data points. The method comprises the following steps:

    a) retrieving the at least one chromatogram by at least one processing device (126);
    b) applying at least one peak fit modelling to the chromatogram by using the processing device (126);
    c) determining information about residuals of the raw data points by using the processing device (126);
    d) detecting the at least one interference and/or the at least one artefact by using the processing device (126) by comparing the determined information about the residuals with at least one pre-determined threshold, wherein, if the determined information about the residuals exceed the pre-determined threshold, the at least one interference and/or the at least one artefact is detected.

    QUALITY CONTROL TOOLS FOR LC-MS
    4.
    发明申请

    公开(公告)号:US20230003696A1

    公开(公告)日:2023-01-05

    申请号:US17930616

    申请日:2022-09-08

    Abstract: A method for identifying and/or verifying at least one analyte peak in a chromatogram of a sample for said analyte from a liquid chromatography mass spectrometer device, said method comprising: a) determining a chromatogram of the sample by acquiring a plurality of data points for quantifier signal intensities and/or qualifier signal intensities, over time; and, in case the sample comprises an internal standard, optionally acquiring a plurality of data points for internal standard quantifier signal intensities and/or internal standard qualifier signal intensities, over time; b) determining for at least a fraction of the data points acquired in step a), a ratio type; c) comparing the ratios determined in step b) to a reference; and d) identifying and/or verifying at least one analyte peak in a chromatogram based on comparison step c).

    METHOD AND DEVICE FOR AUTOMATIC PEAK INTEGRATION

    公开(公告)号:US20220155269A1

    公开(公告)日:2022-05-19

    申请号:US17649801

    申请日:2022-02-03

    Abstract: A computer implemented method for automatic peak integration of at least one chromatogram of at least one sample. The method comprises retrieving at least one chromatogram of the chemical related substance and at least one chromatogram of the analyte; evaluating the chromatogram of the chemical related substance, wherein the evaluating comprises determining at least one initial value for analyte retention time by determining retention time of the chemical related substance and adding the retention time of the chemical related substance with a pre-determined or pre-defined constant offset and/or multiplying the retention time of the chemical related substance with a pre-determined or pre-defined constant factor; evaluating the chromatogram of the analyte, wherein the evaluating comprises at least one position determining step; and at least one peak integration step, wherein analyte peak area and analyte peak shape are determined by applying at least one fitting analysis to the chromatogram of the analyte.

Patent Agency Ranking