[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[ccp4bb]: detwin

***  For details on how to be removed from this list visit the  ***
***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***

I try to run detwin. I have estimated the twin fraction about 0.24.
I intoduce the value (0.237) and the log file announces that the
estimated twin fraction is 0.0.

At the end of the job, it seems that a twin fraction of 0.48 has been
applied ????

Help !

Here is a part of my log file

 Data line--- TITLE detwin crystal ESRF (pas12)
 Data line--- SIGMACUT 6.0
 Data line--- OPERATOR -h,-k,h+l
 Data line--- TWIN_FRACTION 0.237

<a name="twinDETWIN"><h3>Twinning Relationship</h3></a>

 Twinning relationship relates reflection with indices h,k,l to :
 In matrix form

    -1    0    0
     0   -1    0
     1    0    1

 Estimated twin fraction 0.000
Output file written for  twinning fraction 0.480
Number of reflections written to output file 155327
Number omitted because the twin mate same as original   2619
Number omitted because the twin mate was not observed   4370
Twinning tests for all fractions: see log graphs

Prof. Jean-Paul DECLERCQ
Université Catholique de Louvain
Unite CSTR, Laboratoire de cristallographie
Place Louis Pasteur, 1 bte 4
B-1348 Louvain-la-Neuve, Belgium

E-mail : declercq@chim.ucl.ac.be
Tel : 32 10 472924         Fax : 32 10 472707