plimit | specify peak search parameters |
PEKPIK | Option | Code | Arg | Def | |
input map file | bdf | e | file extension e | map | |
output peaks as atom lines | npun | no output | |||
punch | atom lines to pch | ||||
output peaks to bdf | sfil | write peaks to pek | |||
nfil | no output to pek | ||||
use symmetry in peak search | sym | use all symops | |||
nsym | no symops | ||||
search for peaks or holes | nhol | peaks only | |||
hole | holes only |
plimit | 1 | min point density used in peak search [a] | |
The following defaults apply, according to FOURR map type. | |||
COEF=1.0 PATT=10.0 EPAT=5.0 VECT=2.0 | |||
EMAP=2.0 FOBS=1.0 FDIF=0.25 FCAL=1.0 | |||
2 | min separation of resolved peaks in Å | 0.75 | |
3 | max peaks output | 50 | |
or 2*(non-H atoms) | |||
Notes: a. Automatically adjusted after searching first layer. |