Metabolomics Society Forum

Software => MS-DIAL => Topic started by: VincentM on September 23, 2021, 09:47:12 AM

Title: MS DIAL - Scoring issues
Post by: VincentM on September 23, 2021, 09:47:12 AM
Hello,

I have a little issue to understand how the scoring in MS DIAL work. I use my own spectrum in high resolution as reference, and compare it to samples in lower resolution.
I don’t understand why the CAR(16:0) do not match the reference despite having good score both in dot product and reverse product, and a total score above my cut of at 50%. What does the « presense » in library information represent?

Thank you,
Vincent
Title: Re: MS DIAL - Scoring issues
Post by: Hiroshi Tsugawa on October 14, 2021, 04:41:17 PM
Try to check the option of "Use RT for filtering candidates"  and "Use RT for scoring candidates". If you use these options, please check your RT tolerance setting. The total score calculated in the compound search windows does not consider the RT score, but in the data processing procedure, the RT score is also considered to calculate the total.

Hiroshi