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RIQC-Combine RankFilter and CasLookup output (version 1.0.2)
Select the output file from the RankFilter tool
Select the output file from the CasLookup tool

Performs a combination of given 'RankFilter' and 'Lookup RI for CAS' files into two tab-separated files.

This combination is a merge of the given files based on the Centrotype field. In the 'RIQC-RankFilter output' the centrotype is found in the 'ID' field (first part before the "-"). In the 'RIQC-Lookup RI for CAS output' the centrotype is found in the 'Centrotype' field.

The files produced contain either all hits for a compound on a single line (Single) or on separate lines (Multi).

Notes

The input data should be produced by the RankFilter and 'Lookup RI for CAS' tools provided on this Galaxy server with the original headers kept intact. Processing steps include:

  • Added columns showing the average Forward/Reverse values, RIexp - RIsvr and RI - RIexp values
  • The ID column of the RankFilter tool output is split into 'Centrotype', 'cent.Factor', 'scan nr.', 'R.T. (umin)' and 'nr. Peaks' fields.
  • The formula is split off the 'Name' field in the RankFilter output