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Oleksii Turkot
CrystFEL
Commits
c3d72232
Commit
c3d72232
authored
Oct 15, 2010
by
Thomas White
Browse files
compare_hkl: Configurability (sort of)
parent
29b4148c
Changes
1
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Inline
Side-by-side
src/compare_hkl.c
View file @
c3d72232
...
...
@@ -109,6 +109,10 @@ static void plot_shells(const double *ref1, const double *ref2,
/* Increase the max just a little bit */
rmax
+=
0.001e9
;
/* FIXME: Fixed resolution shells */
rmin
=
0.120e9
;
rmax
=
1.172e9
;
total_vol
=
pow
(
rmax
,
3
.
0
)
-
pow
(
rmin
,
3
.
0
);
vol_per_shell
=
total_vol
/
NBINS
;
rmins
[
0
]
=
rmin
;
...
...
@@ -119,9 +123,14 @@ static void plot_shells(const double *ref1, const double *ref2,
r
=
vol_per_shell
+
pow
(
rmins
[
i
-
1
],
3
.
0
);
r
=
pow
(
r
,
1
.
0
/
3
.
0
);
/* Shells of constant volume */
rmaxs
[
i
-
1
]
=
r
;
rmins
[
i
]
=
r
;
/* Shells of constant thickness */
//rmins[i] = rmins[i-1] + (rmax-rmin)/NBINS;
//rmaxs[i-1] = rmins[i-1] + (rmax-rmin)/NBINS;
STATUS
(
"Shell %i: %f to %f
\n
"
,
i
-
1
,
rmins
[
i
-
1
]
/
1e9
,
rmaxs
[
i
-
1
]
/
1e9
);
...
...
@@ -293,7 +302,7 @@ 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
;
double
scale_rintint
,
scale_r1i
;
int
i
,
ncom
;
ReflItemList
*
i1
,
*
i2
,
*
icommon
;
int
config_shells
=
0
;
...
...
@@ -448,7 +457,7 @@ int main(int argc, char *argv[])
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
=
stat_r1_i
(
ref1
,
ref2_transformed
,
icommon
,
&
scale
_r1i
);
STATUS
(
"R1(I) = %5.4f %% (scale=%5.2e)
\n
"
,
R1i
*
100
.
0
,
scale
);
Rdiff
=
stat_rdiff_ignore
(
ref1
,
ref2_transformed
,
icommon
,
&
scale_rdig
);
...
...
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