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PerformPeakAnnotation #323

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AMAwatermelon opened this issue Nov 19, 2024 · 1 comment
Open

PerformPeakAnnotation #323

AMAwatermelon opened this issue Nov 19, 2024 · 1 comment

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@AMAwatermelon
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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
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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

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