俺也有这个需求。
先来介绍一下吧
Amdis是NIST里一个用于GC/MS的软件。 基本原理好搞懂，就是不会用。有没有高手指点呢？ 下边是关于Amdis的介绍: The Automatic Mass Spectral Deconvolution and Identification System allows you to automatically find any of a set of target compounds in a gas chromatography / mass spectral (GC/MS) data file. The program first deconvolutes the GC/MS data file to find all of the separate components. Each of these components is then compared against a library of target compounds. The match factor between the target spectrum and the deconvoluted component spectrum is then reported if it is above a user-set value. AMDIS uses a library of mass spectra with or without retention indices to identify compounds in the data file. The program can be configured to build a retention index calibration file, to use the retention index data along with the mass spectral data or to work without reference to the retention index data. In addition, AMDIS can also be used to build a user defined library, either from GC/MS data files or from the data in the NIST Mass Spectral Database.
The program will optionally track the results of routine performance mixture runs (such as the Grob test mixture). Data is retained from previous runs so that changes in the performance of the system can be monitored. AMDIS also provides compound class identification, a batch processing capability and a convenient link to the NIST Mass Spectral Database.
发表于 2009-3-26 09:56
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发表于 2009-3-26 09:58
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发表于 2009-3-26 10:01
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