Interactive analysis of mass spectrometry data

    公开(公告)号:US11289317B2

    公开(公告)日:2022-03-29

    申请号:US17135963

    申请日:2020-12-28

    Abstract: This invention relates to graphical user-interactive analysis of data, including in particular, mass spectrographic data analysis, as well as methods and software for generating and using such. One aspect provides user-customizable reports, including methods and apparatuses for generating customizable pivot tables and graphs specific to mass spectrographic data.

    Intact mass reconstruction from peptide level data and facilitated comparison with experimental intact observation

    公开(公告)号:US11346844B2

    公开(公告)日:2022-05-31

    申请号:US16859758

    申请日:2020-04-27

    Abstract: Methods and apparatuses for the identification and/or characterization of properties of a macromolecule based on mass spectrometry data. Specifically, described herein are methods and apparatuses for converting peptide-level data into a pseudo-intact mass spectra. Also described herein are methods and apparatuses for converting peptide-level data into a pseudo-electropherogram. The methods may be well suited for analyzing proteins and protein complexes, including estimating properties of post-translational modifications of the proteins and protein complexes. Methods may include generating a theoretical graph or spectrum based on peptide-level mass spectrometry data. In some embodiments, the theoretical graph may be a theoretical intact mass spectrum or a theoretical charge distribution spectrum.

    Methods and apparatuses for determining the intact mass of large molecules from mass spectrographic data

    公开(公告)号:US10665439B2

    公开(公告)日:2020-05-26

    申请号:US16438279

    申请日:2019-06-11

    Inventor: Marshall Bern

    Abstract: Methods and apparatuses for the identification and/or characterization of properties of a sample using mass spectrometry. The method involves using a measured spectrum of data from a sample taken with a mass spectrometer, deconvoluting the measured spectrum of data by applying parsimony weighting to minimize the number of charge states based on one or more of: the number of intense peaks in the mass spectrum; the number of harmonic relationships (e.g., masses in small integer ratios); and the number of off-by-one relationships (e.g., m/z bins with high probability for two adjacent charges). Thus, the underlying m/z spectrum may be inferred from the family of plausible deconvoluted spectra determined by applying parsimony and the inferred m/z spectrum may be used to identify and/or characterize the sample.

    Enhanced data compression for sparse multidimensional ordered series data
    8.
    发明授权
    Enhanced data compression for sparse multidimensional ordered series data 有权
    用于稀疏多维有序序列数据的增强数据压缩

    公开(公告)号:US09385751B2

    公开(公告)日:2016-07-05

    申请号:US14877875

    申请日:2015-10-07

    Inventor: Doron Kletter

    Abstract: Disclosed are methods and systems for significantly compressing sparse multidimensional ordered series data comprised of indexed data sets, wherein each data set comprises an index, a first variable and a second variable. The methods and systems are particularly suited for compression of data recorded in double precision floating point format.

    Abstract translation: 公开了用于显着压缩包括索引数据集的稀疏多维有序序列数据的方法和系统,其中每个数据集包括索引,第一变量和第二变量。 这些方法和系统特别适用于以双精度浮点格式记录的数据的压缩。

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