PHACMP: Compare Phases of Two Sets of Reflections

maxhkl max and min values of h, k, l and sinθ/λ

phaso1 source of phase set 1

phaso2 source of phase set 2 for comparison

phacmp Option Code

list reflections modulo n list n 100

width of phase bins in degrees bin x 22.5

number of equal volume shells shel n 4

compound ID code of second bdf1 cid s same as compid

extension code of second bdf1 ext e aa1

1 If phase set 2 is not supplied on the input archive bdf the filename of the bdf is constructed from the input values of cid and ext.

maxhkl 1-3 max h, k, l bdf

4-5 min, max sinθ/λ bdf

6-9 min h, k, l -1000

phaso1 Option Code

data set number ds n 1

phase source fc calculated structure factors

best mMIR "best" phase set number 1

most m MIR "most probable" phases 1

dens density modification methods

dir m direct methods 1

phaso2 fields as for phaso1above