File: UTILS_ConvertTSVToTraML.html

package info (click to toggle)
openms 1.11.1-5
  • links: PTS, VCS
  • area: main
  • in suites: jessie, jessie-kfreebsd
  • size: 436,688 kB
  • ctags: 150,907
  • sloc: cpp: 387,126; xml: 71,547; python: 7,764; ansic: 2,626; php: 2,499; sql: 737; ruby: 342; sh: 325; makefile: 128
file content (73 lines) | stat: -rw-r--r-- 2,855 bytes parent folder | download
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
<HTML>
<HEAD>
<TITLE>ConvertTSVToTraML</TITLE>
<LINK HREF="doxygen.css" REL="stylesheet" TYPE="text/css">
<LINK HREF="style_ini.css" REL="stylesheet" TYPE="text/css">
</HEAD>
<BODY BGCOLOR="#FFFFFF">
<A href="index.html">Home</A> &nbsp;&middot;
<A href="classes.html">Classes</A> &nbsp;&middot;
<A href="annotated.html">Annotated Classes</A> &nbsp;&middot;
<A href="modules.html">Modules</A> &nbsp;&middot;
<A href="functions_func.html">Members</A> &nbsp;&middot;
<A href="namespaces.html">Namespaces</A> &nbsp;&middot;
<A href="pages.html">Related Pages</A>
<HR style="height:1px; border:none; border-top:1px solid #c0c0c0;">
<!-- Generated by Doxygen 1.8.5 -->
</div><!-- top -->
<div class="header">
  <div class="headertitle">
<div class="title">ConvertTSVToTraML </div>  </div>
</div><!--header-->
<div class="contents">
<div class="textblock"><p>Converts OpenSWATH transition TSV files to TraML files</p>
<p>The OpenSWATH transition TSV files need to have the following headers, all fields need to be separated by tabs:</p>
<ul>
<li>
PrecursorMz (float)  </li>
<li>
ProductMz (float)  </li>
<li>
Tr_calibrated (float)  </li>
<li>
transition_name (free text, needs to be unique for each transition [in this file])  </li>
<li>
Collision Energy (float)  </li>
<li>
LibraryIntensity (float)  </li>
<li>
transition_group_id (free text, designates the transition group [e.g. peptide] to which this transition belongs)  </li>
<li>
decoy (1==decoy, 0== no decoy; determines whether the transition is a decoy transition or not)  </li>
<li>
PeptideSequence (free text, sequence only (no modifications) )  </li>
<li>
ProteinName (free text)  </li>
<li>
Annotation (free text, e.g. y7)  </li>
<li>
FullUniModPeptideName (free text, should contain modifications*)  </li>
<li>
PrecursorCharge (integer, contains the charge of the precursor)  </li>
<li>
GroupLabel (free text, e.g. heavy or light)  </li>
<li>
UniprotID (free text)  </li>
<li>
FragmentType (free text, contains the type of the fragment, e.g. "b" or "y")  </li>
<li>
FragmentCharge (integer, contains the fragment charge)  </li>
<li>
FragmentSeriesNumber (integer, e.g. for y7 use "7" here)  </li>
</ul>
<p>modifications should be supplied inside the sequence using UniMod identifiers or freetext identifiers that are understood by OpenMS. Please do not use the ambiguous bracket notation (e.g. PEPT[+80]IDE or PEPT[181]IDE) since this is ambiguous and will NOT be interpreted correctly! example: PEPT(Phosphorylation)IDE(UniMod:27)A ) </p>
</div></div><!-- contents -->
<HR style="height:1px; border:none; border-top:1px solid #c0c0c0;">
<TABLE width="100%" border="0">
<TR>
<TD><font color="#c0c0c0">OpenMS / TOPP release 1.11.1</font></TD>
<TD align="right"><font color="#c0c0c0">Documentation generated on Thu Nov 14 2013 11:19:24 using doxygen 1.8.5</font></TD>
</TR>
</TABLE>
</BODY>
</HTML>