Calculations for updated retention times

To correct the expected retention times, the application reads the current retention time and calculates the shift to the expected retention time. This shift, multiplied by a compound-specific weighting factor, is added to the expected retention time.

Shift = ActualRT - ExpRT

where

Shift

Time shift of the compound

ActualRT

Actual retention time of the compound

ExpRT

Expected retention time of the compound

where

NewExpRT

Corrected expected retention time of the compound

ExpRT

Expected retention time of the compound

Shift

Time shift of the compound

RTUpdate

Weighting factor (RT update factor (%)) of the compound

Updated Retention Times with Time Reference Compounds

You can use RT updates with or without time references. The shift and the corrected retention times of the time reference compounds themselves are calculated the same way as for any compound, using the RT Update function:

where

NewExpRTRef

Corrected expected retention time of the reference compound

ExpR TRef

Expected retention time of the reference compound

Shift Ref

Time shift of the reference compound

RTUpdateRef

Weighting factor (RT update factor [%)) of the reference compound

The corrected retention time of a compound associated with a time reference is calculated using an additional factor:

where

NewExpRT

Corrected expected retention time of the compound

ExpR T

Expected retention time of the compound

Shift Ref

Time shift of the reference compound

RTUpdate

Weighting factor (RT update factor [%)) of the compound

Factor

Factor for compounds with associated time reference compound (Factor)

In case of timed groups, the expected retention time, range start time, or range end time are only updated if you use time references or relative retention times.