That is a list of the strongest Patterson peaks, the ones marked with
'*' are used
as translation search vectors to kick-start the heavy atom location.
x,y,z are the
crystal coordinates of the peaks, height is the peak height, mult
indicates how the
peaks have coalesced because they are on special positions (in Patterson
space)
and length is the distance of the peak from the origin, i.e. the vector
length.
George
On 11/30/2012 09:54 AM, Wei Feng wrote:
Dear all,
When I used shelxc/d/e to locate the Se atoms in a protein, I found an
output file "shelxc_fa.lst".
Does anyone can tell me the meaning of the indicates in shelxc_fa.lst
(red word):
Thanks a lot!
Ding wei
shelxc_fa.lst:
Patterson (* indicates vector selected for search)
X Y Z Height Mult Length
0.0000 0.0000 0.0000 999.9 0.0435 0.00
0.0553 0.0553 0.0159 43.8 0.5000 5.22
0.5511 0.0000 0.5000 33.8 0.2500 99.53
0.9102 0.8730 0.0163 31.7 1.0000 9.29 *
--
Prof. George M. Sheldrick FRS
Dept. Structural Chemistry,
University of Goettingen,
Tammannstr. 4,
D37077 Goettingen, Germany
Tel. +49-551-39-3021 or -3068
Fax. +49-551-39-22582
