Hi Bryan, I guess what you get in MTZ file after running phenix.cif_as_mtz is (F_meas_au, F_meas_sigma_au). TO be sure I would need the PDB code to check it. Not sure where R-free-flags come from since I don't see them in the list of labels below. Pavel. On 12/10/09 8:42 AM, Bryan W. Lepore wrote:
a .cif has a bunch of labels (see below). the output .mtz has three:
FOBS, SIGFOBS, R-free-flags
... without getting anyones' hands dirty, are the F's merged from the four correct columns, viz. F_plus, F_minus, (and sigmas)?
-bryan (for pdb code, pls. off-list)
labels in .cif : _refln.F_meas_au _refln.F_meas_sigma_au _refln.F_calc _refln.phase_calc _refln.pdbx_F_plus _refln.pdbx_F_plus_sigma _refln.pdbx_F_minus _refln.pdbx_F_minus_sigma _refln.pdbx_HL_A_iso _refln.pdbx_HL_B_iso _refln.pdbx_HL_C_iso _refln.pdbx_HL_D_iso
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