CNS:omit map

Thread View: sci.techniques.xtallography

1 messages

[T] Back to Threads [V] Tree View [G] Group Articles

1 total messages Started by gour pada pal Thu, 13 Jun 2002 16:10

#47

Author: gour pada pal
Date: Thu, 13 Jun 2002 16:10

32 lines
2245 bytes

I have calculated composite omit map using CNS: the output semms to me
2FoFc. coeff. But this file looks different than the usual 2fofc.coeff
which is easily read by cns2xfit.awk and generate the map for XFIT. But
from the composit omit map coeff. I can not generate the map for XFIT.
Can anybody help me?

GOUR

Example:
1. fofc.coeff

NREFlection=     37291
 ANOMalous=FALSe { equiv. to HERMitian=TRUE}
 DECLare NAME=MAP_FOM                DOMAin=RECIprocal   TYPE=REAL END
 DECLare NAME=MAP_PHASE              DOMAin=RECIprocal   TYPE=REAL END
 DECLare NAME=MAP_SCALE              DOMAin=RECIprocal   TYPE=REAL END
DECLare NAME=MAP_COEFF              DOMAin=RECIprocal   TYPE=COMP END
 INDE   -23   14    4 MAP_FOM=     0.253 MAP_PHASE=   160.753
                   MAP_SCALE=     0.110 MAP_COEFF=    32.671   340.753
 INDE   -23   14    5 MAP_FOM=     0.276 MAP_PHASE=   148.694
                   MAP_SCALE=     0.110 MAP_COEFF=    17.456   148.694
this is working

2. composite_omit_map.coeff

NREFlection=     49293
 ANOMalous=FALSe { equiv. to HERMitian=TRUE}
 DECLare NAME=MAP_COEFF              DOMAin=RECIprocal   TYPE=COMP END
 INDE   -25    8   11 MAP_COEFF=   131.455    21.992
 INDE   -25    1   10 MAP_COEFF=   253.605     0.890

This is not working

Thread Navigation

This is a paginated view of messages in the thread with full content displayed inline.

Messages are displayed in chronological order, with the original post highlighted in green.

Use pagination controls to navigate through all messages in large threads.

Back to All Threads