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data filtering

Hi everybody,
I\'m performing large-scale LCMS metabolomic profiling, and I\'m looking for a R script that performs quality control-based robust LOESS signal correction to correct for analytical drift within and across analytical batches (such as in  Dunn, W. B., Broadhurst, D., Begley, P., Zelena, E., Francis-McIntyre, S., Anderson, N., Brown, M., Knowles, J. D., Halsall, A. et al. (2011) Procedures for large-scale metabolic profiling of serum and plasma using gas chromatography and liquid chromatography coupled to mass spectrometry. Nat Protoc 6: 1060-1083).
I would be extremely pleased if somebody could help,
thanks and see you in washington

jc martin
biomet platform
marseille, france

data filtering

Reply #1
Hi, actually, I didn\'t exactly get your point, but there is an R package for correcting shifts of analytical signals like chromatograms, http://code.google.com/p/mspa/. Wish you good luck. bw, Hongdong

data filtering

Reply #2
We have developed a platform independent tool in house for targeted analysis and use it for our metabolite quantitation using HRMS data files. I would be glad to share it (especially with anyone else who might be interested in testing it out).
kathi