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Oleksii Turkot
CrystFEL
Commits
fd96653b
Commit
fd96653b
authored
Oct 20, 2010
by
Thomas White
Committed by
Thomas White
Feb 22, 2012
Browse files
compare_hkl: Fix displayed scale factors
parent
1e58bf9d
Changes
1
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Inline
Side-by-side
src/compare_hkl.c
View file @
fd96653b
...
...
@@ -313,7 +313,7 @@ int main(int argc, char *argv[])
char
*
bfile
=
NULL
;
char
*
sym
=
NULL
;
double
scale
,
scale_r2
,
scale_rdig
,
R1
,
R2
,
R1i
,
Rdiff
,
pearson
;
double
scale_rintint
,
scale_r1i
;
double
scale_rintint
,
scale_r1i
,
scale_r1
,
scale_r1fi
;
int
i
,
ncom
;
ReflItemList
*
i1
,
*
i2
,
*
icommon
;
int
config_shells
=
0
;
...
...
@@ -457,23 +457,23 @@ int main(int argc, char *argv[])
STATUS
(
"%i,%i reflections: %i in common
\n
"
,
num_items
(
i1
),
num_items
(
i2
),
ncom
);
R1
=
stat_r1_ignore
(
ref1
,
ref2_transformed
,
icommon
,
&
scale
);
R1
=
stat_r1_ignore
(
ref1
,
ref2_transformed
,
icommon
,
&
scale
_r1fi
);
STATUS
(
"R1(F) = %5.4f %% (scale=%5.2e) (ignoring negative intensities)
\n
"
,
R1
*
100
.
0
,
scale
);
R1
*
100
.
0
,
scale
_r1fi
);
R1
=
stat_r1_zero
(
ref1
,
ref2_transformed
,
icommon
,
&
scale
);
R1
=
stat_r1_zero
(
ref1
,
ref2_transformed
,
icommon
,
&
scale
_r1
);
STATUS
(
"R1(F) = %5.4f %% (scale=%5.2e) (zeroing negative intensities)
\n
"
,
R1
*
100
.
0
,
scale
);
R1
*
100
.
0
,
scale
_r1
);
R2
=
stat_r2
(
ref1
,
ref2_transformed
,
icommon
,
&
scale_r2
);
STATUS
(
"R2(I) = %5.4f %% (scale=%5.2e)
\n
"
,
R2
*
100
.
0
,
scale_r2
);
R1i
=
stat_r1_i
(
ref1
,
ref2_transformed
,
icommon
,
&
scale_r1i
);
STATUS
(
"R1(I) = %5.4f %% (scale=%5.2e)
\n
"
,
R1i
*
100
.
0
,
scale
);
STATUS
(
"R1(I) = %5.4f %% (scale=%5.2e)
\n
"
,
R1i
*
100
.
0
,
scale
_r1i
);
Rdiff
=
stat_rdiff_ignore
(
ref1
,
ref2_transformed
,
icommon
,
&
scale_rdig
);
STATUS
(
"Rint(F) = %5.4f %% (scale=%5.2e) (ignoring negative intensities)
\n
"
,
Rdiff
*
100
.
0
,
scale
);
Rdiff
*
100
.
0
,
scale
_rdig
);
Rdiff
=
stat_rdiff_zero
(
ref1
,
ref2_transformed
,
icommon
,
&
scale
);
STATUS
(
"Rint(F) = %5.4f %% (scale=%5.2e) (zeroing negative intensities)
\n
"
,
...
...
@@ -482,7 +482,7 @@ int main(int argc, char *argv[])
Rdiff
=
stat_rdiff_intensity
(
ref1
,
ref2_transformed
,
icommon
,
&
scale_rintint
);
STATUS
(
"Rint(I) = %5.4f %% (scale=%5.2e)
\n
"
,
Rdiff
*
100
.
0
,
scale
);
Rdiff
*
100
.
0
,
scale
_rintint
);
pearson
=
stat_pearson_i
(
ref1
,
ref2_transformed
,
icommon
);
STATUS
(
"Pearson r(I) = %5.4f
\n
"
,
pearson
);
...
...
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