Metabolomics Society Forum

Software => MS-DIAL => Topic started by: benton_anderson on December 28, 2021, 10:48:58 AM

Title: Clarify gap filling by compulsion parameter
Post by: benton_anderson on December 28, 2021, 10:48:58 AM
I'm looking for clarification on the gap filling by compulsion parameter under the alignment options.

My data (see attached) show a significant effect when this parameter is enabled (top histogram) vs disabled (bottom histogram). My dataset has 60 samples, and I receive a total of approximately 18,000 features before filtering steps.

Section 2.3.6 of the official docs https://mtbinfo-team.github.io/mtbinfo.github.io/MS-DIAL/tutorial.html  gives the following:

Quote
If you check this, the peak recognition is performed by the average peak width of samples having the metabolite feature even though no local maximum is observed in the chromatogram. This is validated by default.


An explanation of the parameter algorithm would answer these questions.

Also, reading this prior post (http://www.metabolomics-forum.com/index.php?topic=1469.0) did not answer my questions.