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Dear All
Thanks for your help!! I am trying methods you suggested.
But as you told SIGMA should be there, it's weird! I still want to know why
after doing density modification in CNS, standard deviation can not be found!
Maybe I got a mistake, so the following is what comes from density_modify.inp
and it's result .hkl file. Hope I can get some clues from you!
{========================= output arrays =============================}
{* complex reciprocal space array with observed amplitudes and any
missing data replaced by DFc, combined with density modified
centroid phases *}
{* this array can be used to make maps, but should NOT be used in
refinement or further modification procedures because it contains
recontructed data which were not experimentally observed *}
{===>} out_f="full_mod";
{* real reciprocal space array with figures-of-merit after density
modification *}
{===>} out_fom="fom_mod";
{* phase probability distribution after density modification *}
{* reciprocal space arrays with new Hendrickson-Lattman coefficients A,B,C,D *}
{+ table: rows=1 "HL coefficients" cols=4 "A" "B" "C" "D" +}
{===>} out_pa="pa_mod";
{===>} out_pb="pb_mod";
{===>} out_pc="pc_mod";
{===>} out_pd="pd_mod";
{=========================== output files ============================}
INDE 0 0 -48 FULL_MOD= 106.471 180.000 FOM_MOD= 1.000
PA_MOD= -6.008 PB_MOD= -0.728 PC_MOD= 0.000
PD_MOD= 0.000
INDE 1 0 -48 FULL_MOD= 115.014 180.000 FOM_MOD= 1.000
PA_MOD= -6.003 PB_MOD= 1.762 PC_MOD= 0.000
PD_MOD= 0.000
Best regards
Hao
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