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A method of creating standardized spectral libraries for enhanced library searching

机译:创建用于增强库搜索的标准化频谱库的方法

摘要

A method of creating a library of standardized spectral data and identifying a sample of searching the standardized library for a match with the sample spectrum is disclosed. This method provides enhanced library searching capabilities. A method of correcting for instrumental changes that influence the spectral response of a mass spectrometer over time is also disclosed. The methods entail determining and applying a transfer function which equalizes instrument bias between instruments and within the same instruments over time. A transfer function is specific to a particular instrument, and is based on the relationship between a reference spectrum of a standard as stored in a library and a spectrum of the standard obtained on the particular instrument of interest.
机译:公开了一种创建标准化光谱数据的库并识别在标准化库中搜索与样本光谱的匹配的样本的方法。此方法提供了增强的库搜索功能。还公开了一种校正仪器变化的方法,该仪器变化会随着时间的推移影响质谱仪的光谱响应。该方法需要确定和应用传递函数,该传递函数可以使仪器之间以及同一仪器内随时间推移的仪器偏差均等。传递函数特定于特定仪器,并且基于存储在库中的标准物的参考光谱与在特定目标仪器上获得的标准物光谱之间的关系。

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