if it <= 0: continue trans.append((trid, it)) trans.sort(key=lambda t: -t[1]) pepid = data['trlib_pepid'] z1 = data['trlib_z1'] mz1 = data['trlib_mz1'] extras = {} for key in ("intensity", "score", "extraction", "fdr"): if key in data: extras[key] = data[key] tg, mod = w.addtransgroup(peptide=pepid, z1=z1, spectra=spectra, mz1=mz1, nrt=nrt, rt=rt, prt=rt, transitions=trans, ntransition=len(trans), **extras) if 'lccalibration' in data and spectra not in lccal: nrtslope, nrtintercept = map(float, data['lccalibration'].split(":")) lccal[spectra]['nrtslope'] = nrtslope lccal[spectra]['nrtintercept'] = nrtintercept tgs[spectra].add(tg.get('id')) for spectra in allspec: spec = w.get(spectra) if spectra in lccal: spec.set("nrtslope", lccal[spectra]['nrtslope'])
z1=z1, mz2=mz2, z2=z2) if modified: print t.get('id') if (pid, z1, spectra) not in tgroup: tgroup[(pid, z1, spectra)] = dict(transitions=[], nrt=nrt, rt=rt, mz1=mz1, scans=scans) tgroup[(pid, z1, spectra)]['transitions'].append((t.get('id'), relint)) for pid, z1, spectra in tgroup: tgroup[(pid, z1, spectra)]['ntransition'] = len( tgroup[(pid, z1, spectra)]['transitions']) tg, mod = w.addtransgroup(peptide=pid, z1=z1, spectra=spectra, **tgroup[(pid, z1, spectra)]) if mod: print tg.get('id') if tg.get('id') in spectra2tg[spectra]: spectra2tg[spectra].remove(tg.get('id')) for spectra in allspectra: for tgid in spectra2tg[spectra]: print "Deleting transition group", tgid w.delete(tgid)