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    Method And System Of Identifying A Sample By Analysing A Mass Spectrum By The Use Of A Bayesian Inference Technique
    21.
    发明申请
    Method And System Of Identifying A Sample By Analysing A Mass Spectrum By The Use Of A Bayesian Inference Technique 审中-公开
    通过使用贝叶斯推理技术分析质谱来识别样品的方法和系统

    公开(公告)号：US20140158879A1

    公开(公告)日：2014-06-12

    申请号：US14096578

    申请日：2013-12-04

    Applicant: MICROMASS UK LIMITED

    Inventor： John Skilling ,  Keith Richardson

    IPC: H01J49/00 ,  H01J49/26

    CPC classification number: H01J49/0036 ,  G01N30/8675 ,  G06K9/0057 ,  G06K9/6278 ,  H01J49/26

    Abstract: A method and system for the identification and/or characterisation of properties of a sample using mass spectrometry. The method involves producing a measured data set from a sample using a mass spectrometer, deconvoluting the measured data set by Bayesian inference to produce a family of plausible deconvoluted data sets, inferring an underlying deconvoluted data set from the family of plausible deconvoluted data sets and using the underlying deconvoluted data set to identify and/or characterise the sample.

    Abstract translation: 用于使用质谱鉴定和/或表征样品的性质的方法和系统。 该方法包括使用质谱仪从样本产生测量数据集，通过贝叶斯推理解卷积测量数据集，以产生似是而非的去卷积数据集的族，从合理的去卷积数据集合中推断出一个基本去卷积数据集，并使用 用于识别和/或表征样本的基础去卷积数据集。

    Self-calibration of high resolution mass spectrum
    22.
    发明授权
    Self-calibration of high resolution mass spectrum 有权

    公开(公告)号：US12020918B2

    公开(公告)日：2024-06-25

    申请号：US17435266

    申请日：2020-03-02

    Applicant: Micromass UK Limited

    Inventor： Boris Kozlov ,  Vasiliy Makarov ,  Keith Richardson

    IPC: H01J49/00 ,  H01J49/40

    CPC classification number: H01J49/0009 ,  H01J49/0036 ,  H01J49/406

    Abstract: A method of self-calibrating a mass spectrometer or mass spectral data is disclosed. At least some first observed mass to charge ratios are matched with or against a comprehensive reference set of possible or predicted elemental compositions having known precise mass to charge ratios. One or more calibration parameters of a calibration routine are then adjusted so as to optimise the match between one or more of the first observed mass to charge ratios and the corresponding known precise mass to charge ratios of one or more possible or predicted elemental compositions contained within the reference set.

    A METHOD OF ANALYSIS OF MASS SPECTROMETRY DATA
    23.
    发明公开
    A METHOD OF ANALYSIS OF MASS SPECTROMETRY DATA 审中-公开

    公开(公告)号：US20240094173A1

    公开(公告)日：2024-03-21

    申请号：US18264217

    申请日：2022-02-02

    Applicant: Micromass UK Limited ,  Waters Technologies Ireland Limited

    Inventor： Patrick Boyce ,  Keith Richardson

    IPC: G01N30/86

    CPC classification number: G01N30/8631 ,  G01N30/8679 ,  G01N30/8696 ,  G01N2030/8648

    Abstract: There is provided a method of analysis of mass spectrometry data comprising obtaining raw experimental mass spectrometry data; performing a first deconvolution of the raw experimental mass spectrometry data using a deconvolution algorithm, a wide first input parameter set, and a wide first output parameter set to obtain a deconvolved output; obtaining discrete peak data from the deconvolved output; simulating raw data for a first peak of the discrete peak data to obtain reference simulated raw discrete data; simulating raw data for a second peak of the discrete peak data to obtain suspect simulated raw discrete data; and determining whether the second peak is likely an artefact or indicative of a mass by comparing the suspect simulated raw discrete data with the reference simulated raw discrete data.

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