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Retention Time Recomputing

Steps followed by the Retention Time Recomputing algorithm

  1. For each 'parent' species from the selected User context (i.e. User context for which RT Recomputing is needed)
    1. Collect RTs for all final child species
    2. Can apply linear regression coefficients
    3. Can remove outliers using Grubbs method
      • Critical values for a 0.05 significance level are used
      • The test is used for # of values greater or equal to 3
      • Each time a value is removed, the test is repeated.
      • More details on Grubb's test here
    4. Compute the 'parent' RT value from one of the following statistical method (the previous RT value is then overwritten by the new one):
      • Average
      • Median
      • Weighted average (by score)
      • Best score per identification + average
      • Best score per identification + median
userguide/retentiontimerecomputing.txt · Last modified: 2010/08/02 16:49 by