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{ xrefin-search-rotation-statement } END
is an xrefin statement. Action takes place as soon as the END
statement is issued.
xrefin-search-rotation-statement
:==
DELTa=real
specifies an angular grid interval.
DELTa should be less than
,
where is the high-resolution limit (see Section
13.3) and is the maximum Patterson vector length
of the search model (see Section 19.5.3 for an example).
This is a conservative estimate. In many cases, it will
be sufficient to double this estimate. Note that the CPU time
requirement for the rotation function is roughly an inverse
cubic function of DELTa. Thus, one should use the largest
possible value for DELTa (default: 0.0).
EPSIlon=real
specifies for
the peak cluster analysis. Multiple entries
produce multiple cluster analysis (default: 0.2).
FORMatted=logical
should be set to FALSE if
the map files are binary files (default: TRUE).
LIST=filename
specifies the
file for the list of rotation function
peaks after the cluster analysis (grid points are mapped into
an asymmetric unit of the rotation function) (default: OUTPUT).
NLISt=integer
specifies that the analysis of the
rotation function will be restricted to
the integer highest grid points.
NPEAks=integer
selects the integer strongest
Patterson vectors of map P1 that satisfy the
range and threshold criteria (default: 5000).
OUTPut=filename
specifies the file for the complete rotation function.
P1INput=filename
reads Patterson map P1.
P2INput=filename
reads Patterson map P2.
PSIMIn=real
PSIMAx=real PHIMIn=real
PHIMAx=real KAPPAMIn=real
KAPPAMAx=real
is spherical polar angle sampling (as defined in Section
2.4). Specified are the
minimum and maximum values for , ,
(default: 0).
RANGe=real=real
selects the Patterson
vectors of map P1 based on
the distance of the vectors from the origin
(default: 3-20 Å).
SELF=logical
is a flag for cluster analysis that
determines the symmetry of map P1. If FALSE, map P1 is
treated with symmetry, whereas map P2 is treated with
crystallographic symmetry, as in
the xrefin symmetry statement. If TRUE, both P1
and P2 are treated with crystallographic symmetry.
T1MIn=real
T1MAx=real T2MIn=real
T2MAx=real T3MIn=real T3MAx=real
is equidistant Eulerian angle sampling
(, , , as defined in
Section
2.4) using DELTa intervals.
Specified are the minimum and maximum values for
, , (default: 0 ).
THREshold=real
selects the Patterson vectors of map P1
according to the value of the Patterson map: if
this value is larger than the specified threshold,
the Patterson vector is selected (default: 500).
TPMIn=real
TPMAx=real
TMMIn=real
TMMAx=real T2MIn=real
T2MAx=real
is Lattman's (1985) pseudo-orthogonal sampling, using
DELTa as the interval for . Specified are the
minimum and maximum values for , ,
and (default: 0 and none).