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SORTRF | Option | Code | Arg | Def | |
sorting order |
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slow/med/fast indices |
hkl
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sorting type |
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1
-high
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as
1 with
Friedels adjacent |
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as
1 with
|h|=|k|=|l| groups |
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equivalent hkl data |
nav
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do not average equivalent hkl | |||
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cluster equivalent hkl | ||||
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1
standard average |
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Fisher test average |
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rcode threshold |
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rcode=2 if
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r=0
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prior rcode values |
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do not use input rcodes |
use
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culling for average 1 |
ncull
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no culling | |||
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cull Y if |Y-Y|>
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3
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Friedel independence [a] |
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pack pairs in single packet [b] | |||
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keep pairs as separate reflns [c] | ||||
averaged coefficients [d] |
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average I and
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average
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average
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print output data |
print
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print
problem hkl's |
25
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print
hkl |
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do not print | ||||
print observations |
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print
100
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1
Poisson |
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if hypothesis true |
equivalents |
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maximum |
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Poisson |
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if hypothesis is false |
equivalents |
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3
maximum |
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reject reflection |
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dataset number |
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1
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[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,
|
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 |