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CONTENTS

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Programs
Programs and     databases for smart    data evaluation

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Literature
References, Links    and more

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Patents
Patents in GC/LC-MS data evaluation

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Examples
Classification of GC/LC-MS data

Chemometrics

Chemometrics for comprehensive GC/LC-MS data evaluation

The development of new GC-MS or LC-MS devices and techniques made a significant progress in the last years. But the sticking point is that these devices produce too much data which can not evaluated in a proper way.

Comprehensive data evaluation means that we try to squeeze out all information from our raw data - with every possible approach.

In the following sections you will find some programs which can help you in this way.

  • Programs - for multivariate statistics, expert algorithms and databases
  • Literature - selected literature for comprehensive data evaluation
  • Patents - including most features of modern GC/LC-MS data evaluation

Unsupervised classification of a complex GC-MS sample.
Raw mass spectra are structured
with a Principal Component Analysis (PCA) 
and clustered via k-means algorithm.

 

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