Dear CCP4 user,
I am facing problem in running Mlphare
for *HEAVY
ATOM REFINEMENT and PHASE CALCULATO. It is running successfully but in
output log file i am not getting any FOM for acentric. Log file output of
one of the cycle is
** * *** Finished refinement cycle 3
0 reflections were rejected for refinement
Figures of merit as functions of resolution shell
-------------------------------------------------
Resolution of each shell in angstroms:
19.88 11.81 8.40 6.52 5.33 4.50 3.90 3.44
Number of Measurements phased -ACENTRIC TOTAL
20 107 280 498 721 1092 1383 1342 5443
Mean Figure of Merit
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Number of Measurements phased -CENTRIC TOTAL
29 62 98 120 139 161 158 145 912
Mean Figure of Merit
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Number of Measurements phased -ALL TOTAL
49 169 378 618 860 1253 1541 1487 6355
Mean Figure of Merit
0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000
Compound 1 "Se"
-----------------------------
Scale Factor 1.0000 Shift 0.0000 S. D. 0.0000
Overall B 0.0000 Shift 0.0000 S. D. 0.000
-----------------------------------------------
Refinement Parameter = 0.000000
Anomalous Refinement Parameter = 0.000000
-----------------------------------------------
====== CYCLE 4
===========================================================
One more thing Mlphare did not giving me anamolous shift for individual Se
site. Please guide me and suggest me your valuble ideas to overcome this
problem.
Thank you
Appu
