xia-lab / MetaboAnalystR

R package for MetaboAnalyst
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PerformPeakAnnotation #323

Open AMAwatermelon opened 23 hours ago

AMAwatermelon commented 23 hours ago

PerformPeakAnnotation is taking too long, is something wrong, only 5 sample tests were taken.

Generating EIC's.... Detecting NEG_Sample01.mzML ... 1816 peaks found! Detecting NEG_Sample02.mzML ... 2137 peaks found! Detecting POS_Sample01.mzML ... 15094 peaks found! Detecting POS_Sample02.mzML ... 15117 peaks found! Detecting POS_QC01.mzML ... 11834 peaks found! Warning: Found NA peaks in selected sample. Calculating peak correlations in 494 Groups... Calculating graph cross linking in 494 Groups...
New number of ps-groups: 26279
mSet has now 26279 groups, instead of 494 ! Generating peak matrix for peak annotation! Polarity is set in annotaParam: positive Ruleset could not read from object! Recalculating... Calculating possible adducts in 26279 Groups... Calculating [-----------------------------------------] 1% Time left: 3d

AMAwatermelon commented 7 hours ago

Tried it again and now it's become 3 months.

Step 6/6: Starting Peak Annotation... Start grouping after retention time. Created 594 pseudospectra. Generating peak matrix... Run isotope peak annotation.. Found isotopes:14836
Start grouping after correlation... Generating EIC's.... Detecting POS_QC01.mzML ... 15810 peaks found! Detecting QC02.mzML ... 10048 peaks found! Detecting POS_Sample01.mzML ... 36665 peaks found! Detecting POS_Sample02.mzML ... 46902 peaks found! Warning: Found NA peaks in selected sample. Calculating peak correlations in 594 Groups... Calculating graph cross linking in 594 Groups...
New number of ps-groups: 23759
mSet has now 23759 groups, instead of 594 ! Generating peak matrix for peak annotation! Polarity is set in annotaParam: positive Ruleset could not read from object! Recalculating... Calculating possible adducts in 23759 Groups... Calculating [-----------------------------------------] 0% Time left: 3M