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XCMSOnline  version  1.2.6
XCMS        version  1.41.1
CAMERA      version  1.22.0
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General parameters
	 polarity 	 positive 
	 retention time format 	 minutes 
2. Feature detection
	 method : matchedFilter
	 fwhm 	 30 
	 snthresh 	 10 
	 max 	 10 
	 step 	 0.1 
	 steps 	 2 
	 mzdiff  	 0.5 
	 Feature detection results :
	ko15.CDF	 [KO]	   -->  472  Features. 
	ko16.CDF	 [KO]	   -->  557  Features. 
	ko18.CDF	 [KO]	   -->  418  Features. 
	ko19.CDF	 [KO]	   -->  313  Features. 
	ko21.CDF	 [KO]	   -->  321  Features. 
	ko22.CDF	 [KO]	   -->  327  Features. 
	wt15.CDF	 [WT]	   -->  460  Features. 
	wt16.CDF	 [WT]	   -->  484  Features. 
	wt18.CDF	 [WT]	   -->  359  Features. 
	wt19.CDF	 [WT]	   -->  297  Features. 
	wt21.CDF	 [WT]	   -->  311  Features. 
	wt22.CDF	 [WT]	   -->  407  Features. 
3. Retention time correction
	 method : peakgroups
	 Initial grouping : ignore sample class 	 TRUE 
	 Initial grouping : bw 	 30 
	 Initial grouping : mzwid 	 0.25 
	 Initial grouping : minfrac 	 1 
	 Initial grouping : minsamp 	 1 
	 missing 	 1 
	 extra 	 1 
	 smooth 	 loess 
	 family 	 gaussian 
4. Alignment
	 method : density
	 bw 	 10 
	 mzwid 	 0.25 
	 minfrac 	 0.5 
	 minsamp 	 1 
5. FillPeaks
6. Diffreport 
	 class1 	 KO 
	 class2 	 WT 
	 statistical test 	 Unpaired parametric t-test (Welch t-test, unequal variances) 
	 statistics.threshold.pvalue 	 0.01 
	 statistics.diffReport.value 	 into 
7. Additional Plots & Statistics 
	Running mummichog
	Printing heatmaps
	Printing MDS plot
	Printing static PCA and Select Scaling plot
8. Annotation (isotopes & adducts)
	 featureAnnotation.CAMERA.annotate 	 isotopes 
	 featureAnnotation.CAMERA.mzabs 	 0.1 
	 featureAnnotation.CAMERA.ppm  	 100 
	 featureAnnotation.CAMERA.sigma 	 6 
	 featureAnnotation.CAMERA.perfwhm 	 0.6 
	 featureAnnotation.CAMERA.maxcharge 	 3 
	 featureAnnotation.CAMERA.maxiso 	 4 
	 featureAnnotation.CAMERA.intensity 	 into 
9. Putative ID's (METLIN)
	 identification.METLIN.ppm 	 100 
	 identification.METLIN.adducts 	 M+H, M+NH4, M+Na, M+H-H2O, M+H-2H2O, M+K, M+ACN+H, M+ACN+Na, M+2Na-H, M+2H, M+3H, M+CH3OH+H 
