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Tarskin / LaCyTools

A high-throughput data extraction package for LC-MS data.
Apache License 2.0
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Add different normalization methods #17

Open Tarskin opened 8 years ago

Tarskin commented 8 years ago

Include probabilistic quotient normalization (as per http://pubs.acs.org/doi/abs/10.1021/ac051632c)

Basic Steps:

  1. Perform an integral normalization (typically a constant integral of 100 is used).
  2. Choose/calculate the reference spectrum (the best approach is the calculation of the median spectrum of control samples).
  3. Calculate the quotients of all variables of interest of the test spectrum with those of the reference spectrum.
  4. Calculate the median of these quotients.
  5. Divide all variables of the test spectrum by this median.