Order of processing steps / Re-processing from identification

March 16, 2022, 08:41:12 AM

Hi,

two additional questions for my understanding:
1) Data processing in MS-DIAL is done the following way, isn´t it?
a. peak detection
b. identification (annotation of the peaks in all samples if possible)
c. alignment (und selection of top annoation hit by means of the highest total score)

2.)
if you re-process your data starting from "identification" (e.g. by using another MSP-File) which of the following statements is true?
a. The identification step and the subsequent alignment step is re-processed (but not the peak detection step).
or
b. Only the annotation hit in der respective aligned feature list is modified (no separate alignment step is performed)?

Really thanks a lot for your support.
FalcoB

Re: Order of processing steps / Re-processing from identification

Reply #1 – March 17, 2022, 01:37:05 AM

Hi Falco,

I am not sure I understand your question considering re-processing from identification in MS-DIAL.

For your first question: yes.
For the second one: either you use another .msp file, either you change the identification parameters. And yes, it is redoing the alignment for all the peaks considering the parameters you changed could affect the alignment of other peaks.

Best,
Bénildes