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Messages - scb7589

1
Mass Spectrometry Interest Group / UNTARGETED METABOLOMICS: Polling or not pooling samples
We only pool samples to provide a common QC reference that is periodically injected among the individual samples, to check instrument performance during long runs for large sample sets.  This means we take an equal aliquot from each sample.  Pooling all the samples themselves for analyses is only done for sample sizes too small to analyze individually, since you lose all information about variance introduced by the analytical method, vs. the biological variance.  \"Precision\" is limited, in most all cases, by biological variance-and outliers can be significant. Outliers will contaminate your study, if you pool too aggressively.
2
Data Analysis Interest Group / Welcome to the Data Analysis Interest Group forum
Platform independent mass spec processing tools?

I\'m looking into platform-independent software and database tools for processing raw mass spec data, both MS and MS/MS, acquired for metabolomics applications.  I\'ve looked at XCMS, but are there any others out there you could recommend?