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Read peaks - Revision history
2026-04-20T02:22:33Z
Revision history for this page on the wiki
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https://cyana.org/w/index.php?title=Read_peaks&diff=3865&oldid=prev
Admin: 1 revision
2009-01-28T18:18:41Z
<p>1 revision</p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 20:18, 28 January 2009</td>
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2009-01-28T18:12:29Z
<p>1 revision</p>
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 20:12, 28 January 2009</td>
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https://cyana.org/w/index.php?title=Read_peaks&diff=2251&oldid=prev
Admin: 1 revision
2009-01-28T17:25:58Z
<p>1 revision</p>
<p><b>New page</b></p><div><br />
== Parameters ==<br />
<br />
; file=''filename''.peaks (required)<br />
; weight=''real'': (default: 1.0)<br />
; unknown=error|warning|skip: (default: error)<br />
<br />
== Description ==<br />
<br />
Reads a Xeasy (Bartels et al., 1995) peak list. Volumes are scaled<br />
with the weight factor w. The filter option allows to skip peaks<br />
with comments that match one of the strings s1,s2,... For 3D NOESY<br />
peak lists, the format, i.e. the order in which chemical shifts and<br />
assignments are given in the peak list, may be specified. The format<br />
string has one character per dimension that identifies the column<br />
of 15N or 13C atoms ("N" or "C"), the column of protons bound to 15N<br />
or 13C ("H"), and the column of "independent" protons ("h"). If the<br />
format parameter is absent, the program uses the format given in the<br />
peak list header line "#CYANAFORMAT string", or, if no such header line<br />
is present, tries to determine the format from the peak assignments<br />
(if possible). Regardless of this input order CYANA permutes these<br />
dimensions to "hHN" or "hHC" in 3D lists so that dimension 3 is always<br />
the heteroatom dimension and dimension 2 is the proton dimension<br />
coupled to it. The option reference is used to read in a peak list as<br />
reference list for NOAH. Optionally, only integrated peaks, i.e. those<br />
with an integration method flag different from "-", or only assigned<br />
peaks, i.e. those that are assigned in both proton dimensions, are<br />
read. Optionally, the peaks are appended to those already present.<br />
<br />
read peaks n15 format=NhH filter=overlap Reads a peak list named<br />
"n15.peaks". The three columns for the chemical shifts and the<br />
corresponding assignments in the peak list file refer to 15N, the<br />
"independent" proton, and the proton bound to 15N. Peaks with comment<br />
"overlap" are skipped.</div>
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