会员体验
专利管家(专利管理)
工作空间(专利管理)
风险监控(情报监控)
数据分析(专利分析)
侵权分析(诉讼无效)
联系我们
交流群
官方交流:
QQ群: 891211   
微信请扫码    >>>
现在联系顾问~
热词
    • 9. 发明公开
    • Method of processing spectrometric data
    • 韦尔法罕zur Verarbeitung spektrometrischer Daten
    • EP2128791A2
    • 2009-12-02
    • EP08251890.3
    • 2008-05-30
    • Thermo Fisher Scientific (Bremen) GmbH
    • Pfaff, Hans
    • G06K9/00G01N33/68H01J49/00
    • G06F19/703G06F17/10G06F17/11G06F19/12G06K9/00543H01J49/02
    • A method of characterising a sample from spectrometric data using calculation of spectral distance values is disclosed, for use in the field of mass spectrometry. Molecular formula assignment of peaks in mass spectral data is difficult and time-consuming, and the invention provides a computer implemented method of finding a most likely elemental composition of a measured spectral peak of interest. The method analyses isotopic peaks in a portion of the spectrum, using both their mass positions and intensities, to determine a spectral distance between those peaks and isotopic peaks of a candidate composition, finding peaks that match (140). A pattern spectral distance is determined (150) to provide a measure of the correspondence between a set of those peaks in the measured spectrum and peaks of each of a number of candidate compositions. The spectral fit is used to determine a most likely candidate composition (160).
    • 公开了使用光谱测量数据的光谱测量数据表征样品的方法,用于质谱领域。 质谱数据中峰的分子式分配是困难和耗时的,并且本发明提供了一种计算机实现的方法,其找到所测量的感兴趣峰的最可能的元素组成。 该方法使用它们的质量位置和强度来分析光谱的一部分中的同位素峰,以确定候选组合物的那些峰和同位素峰之间的光谱距离,找到与(140)匹配的峰。 确定图案光谱距离(150)以提供测量光谱中的那些峰的集合与多个候选组合中的每一个的峰值之间的对应关系的度量。 频谱拟合用于确定最可能的候选组合(160)。