Support for Thermo Q Exactive inclusion list
About this plug-in
This format is exported as a text file (.txt) with values separated by tab characters. Retention times are calculated in minutes by finding the mean and standard deviation of each included ion's most intense peak across all aligned runs. The retention time limits are given as:
| Minimum: | mean − 3 x standard deviations |
|---|---|
| Maximum: | mean + 3 x standard deviations |
An extra option allows you to increase this retention time window by a number of minutes to account for likely changes in chromatography. With this format, any compound ions that have the same m/z value and retention time windows less than 0.02 minutes apart, are merged into a single entry in the inclusion list.
Exported fields:
| Mass [m/z] | m/z of the monoisotopic peak |
|---|---|
| CS [z] | charge of the compound ion |
| Polarity | polarity of the compound ion 'Positive' or 'Negative' |
| Start [min] | Start of the retention time window in minutes |
| End [min] | End of the retention time window in minutes |