|
SORTRF | Option | Code | Arg | Def | |
sorting order |
|
|
slow/med/fast indices |
hkl
|
|
sorting type |
|
|
1
-high
0
+high
index |
||
as
1 with
Friedels adjacent |
|||||
as
1 with
|h|=|k|=|l| groups |
|||||
equivalent hkl data |
nav
|
do not average equivalent hkl | |||
|
cluster equivalent hkl | ||||
|
|
1
standard average |
|||
Fisher test average |
|||||
rcode threshold |
|
|
rcode=2 if
Y>Y |
r=0
|
|
prior rcode values |
|
do not use input rcodes |
use
|
||
culling for average 1 |
ncull
|
no culling | |||
|
|
cull Y if |Y-Y|>
Y |
3
|
||
Friedel independence [a] |
|
pack pairs in single packet [b] | |||
|
keep pairs as separate reflns [c] | ||||
averaged coefficients [d] |
|
average I and I | |||
|
average and | ||||
|
average and | ||||
print output data |
print
|
|
print
problem hkl's |
25
|
|
|
|
print
hkl |
|||
|
do not print | ||||
print observations |
|
|
print
100
|
||
's for average 2 |
|
|
1
Poisson |
||
if hypothesis true |
equivalents |
||||
maximum |
|||||
's for average 2 |
|
|
Poisson |
||
if hypothesis is false |
equivalents |
||||
3
maximum |
|||||
reject reflection |
|||||
dataset number |
|
|
1
|
||
[a] Friedel related data is treated as non-equivalent data if one of these options is entered. Otherwise, Friedel pairs are considered to be symmetrically equivalent. [b] Correct option if Friedel data is to be
used in CRYLSQ for an
[c] Correct option if Friedel data is to be used in LSLS for a twinop refinement. [d] Only the specified coefficient type is merged. Other coefficients on the input bdf are not averaged, unless on a merge line. If the specified coefficient is not present on the bdf, the coefficients I, and F will be used in that order. I is the default. |
label | 1 | character information added to the logical
record
lrlabl:
of the bdf |
merge | 1- | ident numbers of items input on the bdf to be averaged (max 30) | only selected irel, f2rel or frel |