
------------------------------------------------------------------------
XCMSOnline  version  1.2.6
XCMS        version  1.41.1
CAMERA      version  1.22.0
------------------------------------------------------------------------
General parameters
	 polarity 	 positive 
	 retention time format 	 minutes 
2. Feature detection
	 method : centWave
	 ppm 	 2.5 
	 snthr 	 10 
	 peakwidth 	 10 60 
	 mzdiff 	 0.01 
	 prefilter peaks 	 3 
	 prefilter intensity 	 5000 
	 noise 	 5000 
	 Feature detection results :
	global_positive_Batch1_B16.mzXML	 [GroupA]	   -->  2855  Features. 
	global_positive_Batch1_B17.mzXML	 [GroupA]	   -->  3184  Features. 
	global_positive_Batch1_B18.mzXML	 [GroupA]	   -->  3087  Features. 
	global_positive_Batch1_B23.mzXML	 [GroupA]	   -->  3002  Features. 
	global_positive_Batch1_B24.mzXML	 [GroupA]	   -->  2959  Features. 
	global_positive_Batch1_B25.mzXML	 [GroupA]	   -->  3044  Features. 
	global_positive_Batch1_B26.mzXML	 [GroupA]	   -->  3045  Features. 
	global_positive_Batch1_B27.mzXML	 [GroupA]	   -->  3038  Features. 
	global_positive_Batch1_B28.mzXML	 [GroupA]	   -->  3244  Features. 
	global_positive_Batch1_B30.mzXML	 [GroupA]	   -->  3566  Features. 
	global_positive_Batch2_B16.mzXML	 [GroupA]	   -->  2515  Features. 
	global_positive_Batch2_B19.mzXML	 [GroupA]	   -->  2568  Features. 
	global_positive_Batch2_B20.mzXML	 [GroupA]	   -->  2515  Features. 
	global_positive_Batch2_B21.mzXML	 [GroupA]	   -->  2417  Features. 
	global_positive_Batch2_B22.mzXML	 [GroupA]	   -->  2599  Features. 
	global_positive_Batch2_B23.mzXML	 [GroupA]	   -->  2589  Features. 
	global_positive_Batch2_B24.mzXML	 [GroupA]	   -->  2664  Features. 
	global_positive_Batch2_B28.mzXML	 [GroupA]	   -->  2668  Features. 
	global_positive_Batch2_B30.mzXML	 [GroupA]	   -->  2791  Features. 
	global_positive_Batch1_A1.mzXML	 [GroupB]	   -->  3453  Features. 
	global_positive_Batch1_A10.mzXML	 [GroupB]	   -->  3608  Features. 
	global_positive_Batch1_A11.mzXML	 [GroupB]	   -->  3241  Features. 
	global_positive_Batch1_A13.mzXML	 [GroupB]	   -->  3877  Features. 
	global_positive_Batch1_A14.mzXML	 [GroupB]	   -->  4223  Features. 
	global_positive_Batch1_A15.mzXML	 [GroupB]	   -->  2977  Features. 
	global_positive_Batch1_A2.mzXML	 [GroupB]	   -->  3269  Features. 
	global_positive_Batch1_A3.mzXML	 [GroupB]	   -->  3317  Features. 
	global_positive_Batch1_A6.mzXML	 [GroupB]	   -->  3567  Features. 
	global_positive_Batch1_A7.mzXML	 [GroupB]	   -->  3572  Features. 
	global_positive_Batch1_A9.mzXML	 [GroupB]	   -->  3224  Features. 
	global_positive_Batch2_A10.mzXML	 [GroupB]	   -->  3390  Features. 
	global_positive_Batch2_A12.mzXML	 [GroupB]	   -->  2765  Features. 
	global_positive_Batch2_A13.mzXML	 [GroupB]	   -->  2874  Features. 
	global_positive_Batch2_A2.mzXML	 [GroupB]	   -->  2585  Features. 
	global_positive_Batch2_A4.mzXML	 [GroupB]	   -->  2639  Features. 
	global_positive_Batch2_A5.mzXML	 [GroupB]	   -->  2675  Features. 
	global_positive_Batch2_A6.mzXML	 [GroupB]	   -->  2853  Features. 
	global_positive_Batch2_A7.mzXML	 [GroupB]	   -->  2832  Features. 
3. Retention time correction
	 method : obiwarp
	 profStep 	 1 
4. Alignment
	 method : density
	 bw 	 5 
	 mzwid 	 0.015 
	 minfrac 	 0.5 
	 minsamp 	 1 
5. FillPeaks
6. Diffreport 
	 class1 	 GroupA 
	 class2 	 GroupB 
	 statistical test 	 Unpaired parametric t-test (Welch t-test, unequal variances) 
	 statistics.threshold.pvalue 	 0.05 
	 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 + adducts 
	 featureAnnotation.CAMERA.mzabs 	 0.015 
	 featureAnnotation.CAMERA.ppm  	 5 
	 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 	 5 
	 identification.METLIN.adducts 	 M+2H, M+3H 
