[sharp-discuss] How to interpret each of the data columns in the final output MTZ file of the autoSHARP?

[Jiawei Wang]

Hi, everyone:

There are the following columns in the final mtz file
"eden_flat_xx.xpc.mtz":

Fcentsha, PHIcentsha, FOMsha, HLA, HLB, HLC, HLD

FHsha, PHIHsha

FreeR_flag

FPsha, SIGFPsha

Fcentshasol, PHIcentshasol

FBshasol, PHIBshasol

PHIshasol, FOMshasol

FCshasol, PHICshasol

PHIdm, FOMdm, Fdm, HLAdm, HLBdm, HLCdm, HLDdm


I have several questions:

1. The electron density map after SHARP is calculate by FFT using the
column: FPsha, SIGFPsha, PHIcentsha, FOMsha. What does the column
Fcentsha mean? How to use it?
2. The electron dentsity map after solomon is calculate by FFT using the
column: FBshasol, PHIBshasol. Is it possible to calculate the ed map
using the columns FPsha, SIGFPsha, PHIshasol, FOMshasol?  Are these two
methods equivalent?
3. Do the dm columns PHIdm, FOMdm, Fdm come from the dm results of SHARP
map, or SOLOMON map?
4. " LABIN FDM=FBshasol PHIDM=PHIBsha" is displayed in the "final DM log
file", but I can't find any column labeled with PHIBsha in the
eden_flat_xx.xpc.mtz file.

Thank you very much.
-- 
Jiawei Wang <jwwang at cryst.iphy.ac.cn>
Institute of physics, Chinese Academy of Sciences