Tarskin / LaCyTools

A high-throughput data extraction package for LC-MS data.
Apache License 2.0
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Report the shift in rt in summary #23

Closed Tarskin closed 6 years ago

Tarskin commented 7 years ago

This will provide an extra value with which the alignment can be judged.

Tarskin commented 6 years ago

This issue is now closed as b20180405b and b20180405c add the last part that was required for this issue, namely the option to have LaCyTools output the actual retention time post-alignment of each feature that was used for alignent. This new output will now be reported in the final summary together with the residual retention time difference if the user has selected 'Alignment QC' as an output option.