Re: [spctools-discuss] Re: MzXML2Search problem (Agilent msconvert-ed data)

2010-06-10 Thread Jimmy Eng
I just changed to a really big value. (9 was considered big many years ago!) On Thu, Jun 10, 2010 at 9:49 AM, Matthew Chambers wrote: > Unless there are indeed downstream problems, it would be good to change that > default upper scan number since others are running into the problem and it's

Re: [spctools-discuss] Re: MzXML2Search problem (Agilent msconvert-ed data)

2010-06-10 Thread Matthew Chambers
Unless there are indeed downstream problems, it would be good to change that default upper scan number since others are running into the problem and it's a pretty obscure source of error. Dave, the peak filtering has been in msconvert for several months, so presumably users can now convert str

[spctools-discuss] Re: MzXML2Search problem (Agilent msconvert-ed data)

2009-11-17 Thread Dave Trudgian
Brian, I've just had a second look and found the reason the conversion stops at scan 9: The default upper scan number in the options struct is set to 9: MzXML2Search.cxx:117 iLastScan = 9; Then just before the main loop it's used to set the value used to terminate the main loop:

[spctools-discuss] Re: MzXML2Search problem (Agilent msconvert-ed data)

2009-11-17 Thread Brian Pratt
Returning to the behavior of mzXML2Search, just eyeballing the code I don't see any reason it should fail at scan numbers > 9. Perhaps the problem is actually downstream from mzXML2Search? While mzXML2Search should quite happily emit 6 digit MGF scan numbers, I can imagine a consumer of MGF m

[spctools-discuss] Re: MzXML2Search problem (Agilent msconvert-ed data)

2009-11-17 Thread Dave Trudgian
Matt, We just apply a (low) absolute threshold. Different values for different instruments, but it's most critical on the Agilent and Water's QTOFs, as without any threshold there are 1000s of peaks. Look forward to seeing the filtering in msconvert. DT Matt Chambers wrote: > What kind of t

[spctools-discuss] Re: MzXML2Search problem (Agilent msconvert-ed data)

2009-11-17 Thread Matt Chambers
What kind of thresholding do you do? Enabling that in msconvert is overdue - the backend code to support it is already in place. MzXML2Search is failing because it depends on a strict DTA name scheme with 5 digits. This is going to break with long LTQ Velos runs so it needs to be fixed regardl