Hi Alastair,

If your search results are either all heavy or all light (not variable mod
searched) then you should also use option -S.

1). You cannot specify anything but single amino acids in this string.
Your quantitation will be based on peptides without PTMs in this dataset.

2). -r8 is a MUCH too wide window to recover the MS1 signal in RTspace.
The lower this number the more selective the tool is at isolating your
target signal.  With -r8 you will not be quantifying the correct signal,
unless you have a very bare sample.

If you are able to share this data I can try running it to help you
optimize your settings.

Thanks,
-David

On Wed, Aug 5, 2020 at 11:02 AM 'Alastair Skeffington' via spctools-discuss
<[email protected]> wrote:

> Hello,
>
> I'm trying to run a 14N/15N labelling experiment through ASAPRatio. I've
> been running the first steps like this - here for the results of a database
> search with heavy masses:
>
> InteractParser sample_interact.pep.xml sample.pep.xml
>
> PeptideProphetParser sample_interact.pep.xml
>
> RefreshParser sample_interact.pep.xml ./EhuxAllproteins_MCC_decoy.fasta
>
> ASAPRatioPeptideParser sample_interact.pep.xml  -lACDEFGHIKLMNPQRSTVWY -r8
> -mA72.0779R160.1857N116.1026D116.0874C104.1429E130.1140Q130.1292G58.0513H140.1393I114.1576L114.1576K130.1723M132.1961F148.1739P99.1152S89.0773T102.1038W188.0793Y164.0633V101.1311
>
> At this point I get a warning:
>
> WARNING: Found more than one variable mod on 'M'. Please make sure to
> specify a heavy mass for this residue
>
> So I have two questions:
>
> 1) How do I specify the heavy mass for oxidised methionine? Mox ? And is
> phosphorylated serine coded Sp ?
>
> 2) I've used -r8 instead of the default 0.5. My reasoning is that a medium
> sized heavy peptide could easily differ from the 14N counterpart by 16 Da.
> Assuming charge +2, then using a m/z range of 8. Does this sound remotely
> sensible?
>
> Many thanks!
> Alastair
>
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