Hi, I was wondering if there is an R utility to wrap XCMS datasets in a package? Something like the FaaKO datasets in XCMS installation. This package would be portable and convenient for my collaborators to do followup stat analysis.
Hi, I wonder if there is a way to read my centroid peaks list files directly for XCMS analysis. My peaks list format (.txt) is described at the end. I think it contains all info that XCMS needs for analysis purpose.
Another way is to compile these lists into mzXML format. Is there a convenient parser already there? My google search didn't turn out good solution to this.
Any suggestion in either way is greatly appreciated.
Xiyan
###The format of my peaks list in .txt############# ............ Scan#: 8 Ret.Time: 0.103439 IonInjectionTime(ms): 250 TotalIonCurrent: 288848 BasePeakMass: 104.1073965 BasePeakIntensity: 108806 83.06096 652.943 84.04497 1627.873 84.05624 275.127 ............. Scan#: 9 Ret.Time: 0.117677 IonInjectionTime(ms): 250 TotalIonCurrent: 90145.1 BasePeakMass: 255.2325484 BasePeakIntensity: 52749.7 83.02424 98.579 101.24509 105.154 103.97359 103.052 107.27591 106.289 107.41876 98.873 111.60914 120.939 119.03371 1083.924 ............