[spctools-discuss] RTCalc (ANN)

2013-03-28 Thread magnus.palmb...@gmail.com
Dear All (especially David), I am trying to use the ANN retention time predictor. The training runs OK, but when trying to use it I get this error: gsl: init_source.c:29: ERROR: vector length n must be positive integer Default GSL error handler invoked. This application has requested the

Re: [spctools-discuss] RTCalc (ANN)

2013-03-28 Thread David Shteynberg
Hi Magnus, Can you forward me the files you have and the commands you are using and I will debug? Thanks, -David On Thu, Mar 28, 2013 at 10:47 AM, magnus.palmb...@gmail.com magnus.palmb...@gmail.com wrote: Dear All (especially David), I am trying to use the ANN retention time predictor.

Re: [spctools-discuss] RTCalc (ANN)

2013-03-28 Thread magnus.palmb...@gmail.com
OK - I sent the training set and the ANN model by e-mail. On Thursday, 28 March 2013 18:49:41 UTC+1, David Shteynberg wrote: Hi Magnus, Can you forward me the files you have and the commands you are using and I will debug? Thanks, -David On Thu, Mar 28, 2013 at 10:47 AM,

Re: [spctools-discuss] RTCalc (ANN)

2013-03-28 Thread David Shteynberg
Thanks for the files you've provided. I was able to find and fix one error in the code. TPP revision 6171 from trunk should contain this fix. Also I found an error in your commands. When you train a a Neural Net with RTCalc you have to use the ANN= option if you want to then apply the trained

[spctools-discuss] protein identification FDR

2013-03-28 Thread Pavel
Hi all, I have a question about FDR estimation for protein identification (using reversed decoy database together with target database in a single file). I can estimate the probability threshold for peptides to get for example 1% FDR. My question is how to use this peptide probability

Re: [spctools-discuss] which strategy to control false positive for x!tandem?

2013-03-28 Thread Amit Yadav
Hi, Interpretation of e-values will always be coupled to the database size (more appropriately, the size of candidates for a particular spectrum). So, I do not think it is the correct metric for controlling false positives. When the authors had suggested using e-values, I believe FDR was not in

Re: [spctools-discuss] protein identification FDR

2013-03-28 Thread Jesse Meyer
Hi Pavel, The choice of peptide-level FDR or protein-level FDR depends on what conclusions you hope to make. If you want to make conclusions about the peptides you have identified, you can use peptide-level FDR. If you are trying to identify proteins for biological reasons you should use