[spctools-discuss] creation of pseudo MS2, from MS2 and MS3 experiments

2011-10-17 Thread Dominik Schwudke
through description of readw and msconvert but cannot find the option. Could you help me out. I guess I have overseen something. Thanks for the help. regards Dominik -- Dr. Dominik Schwudke Group Leader National Centre for Biological Sciences Tata Institute of Fundamental Research GKVK, Bellary Road

[spctools-discuss] Re: ReadW and Orbitrap Exactive output files

2009-11-15 Thread Dominik Schwudke
Hallo, not sure if it is of help for your problem but: the Software RecalOfline from Thermo (should be part of FT-programs) allows to split raw files according to the scan filter. It is even mention that one should be able to run that program over command line what never worked in my hands..

[spctools-discuss] Re: Proteome discoverer (one question)

2009-09-24 Thread Dominik Schwudke
ot; doesnt > seem to output *.out files (or pepXML files). I am more interested in > individual peptide hits but dont see how one can get 1st and 2nd hit > as we see in *.out file using Bioworks). > I would really appreciate your feedback on this. > Thanks, > ~Nikhil. > > >

[spctools-discuss] Re: readw MS/MS precursor mass wrong

2009-09-09 Thread Dominik Schwudke
Otherwise, the program first will try to obtain a more accurate > mass from the "Monoisotopic M/Z:" "trailer value" > > > -Natalie > > > > > > On Sep 8, 2009, at 11:09 AM, Dominik Schwudke wrote: > > >> Dear Jimmy, >

[spctools-discuss] Re: readw MS/MS precursor mass wrong

2009-09-08 Thread Dominik Schwudke
Dear Natalie, Thank You for your detailed answer. I will look into msconvert. Im actually not sure about this part: > [Advanced option, default OFF] --precursorFromFilterLine: only > try to get the precursor MZ value from the Thermo > "filterline" text; only use this if you have a goo

[spctools-discuss] Re: readw MS/MS precursor mass wrong

2009-09-08 Thread Dominik Schwudke
ries? Is it >> possible to switch this off? >> >> We would appriciate very much your help on that, since this incorrect >> notion of precursor masses in the mzXML leads to wrong results in our >> software. Writing a workaround on that would be very time consuming. >&

[spctools-discuss] readw MS/MS precursor mass wrong

2009-09-06 Thread Dominik Schwudke
/DXdDk7vKQN3uzUOUOkRBDZl6Q5q4TkAD2xVD5iz9QXdOq0Pmu5ZBpkQSQ+85U0LTIyND77R7QuHiLUP2vzNAAKBwRCUxu0CKXzZEJV9YQZWfu0Qu4S9AK0qJRDndhEU/ZDpEOg1NQXUN1w== Is somewhere a MS/MS grouping default set? How can I fix this error. best Dominiik -- Dr. Dominik Schwudke Group Leader National Centre for Biological Sciences Tata Institute of