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Oleksii Turkot
CrystFEL
Commits
4398834a
Commit
4398834a
authored
Feb 03, 2011
by
Thomas White
Browse files
Don't try to use unscalable reflections for post refinement
parent
acde580b
Changes
3
Hide whitespace changes
Inline
Side-by-side
src/hrs-scaling.c
View file @
4398834a
...
...
@@ -375,29 +375,6 @@ double *scale_intensities(struct image *images, int n, const char *sym,
/* Start with all scale factors equal */
for
(
m
=
0
;
m
<
n
;
m
++
)
images
[
m
].
osf
=
1
.
0
;
/* Decide which reflections can be scaled */
for
(
m
=
0
;
m
<
n
;
m
++
)
{
int
j
;
for
(
j
=
0
;
j
<
images
[
m
].
n_cpeaks
;
j
++
)
{
int
scalable
=
1
;
if
(
images
[
m
].
cpeaks
[
j
].
p
<
0
.
1
)
scalable
=
0
;
if
(
!
images
[
m
].
cpeaks
[
j
].
valid
)
{
scalable
=
0
;
}
else
{
double
v
=
fabs
(
images
[
m
].
cpeaks
[
j
].
intensity
);
if
(
v
<
0
.
1
)
scalable
=
0
;
}
images
[
m
].
cpeaks
[
j
].
scalable
=
scalable
;
}
}
/* Iterate */
i
=
0
;
do
{
...
...
src/partialator.c
View file @
4398834a
...
...
@@ -232,6 +232,35 @@ static void integrate_image(struct image *image, ReflItemList *obs)
}
/* Decide which reflections can be scaled */
static
void
select_scalable_reflections
(
struct
image
*
images
,
int
n
)
{
int
m
;
for
(
m
=
0
;
m
<
n
;
m
++
)
{
int
j
;
for
(
j
=
0
;
j
<
images
[
m
].
n_cpeaks
;
j
++
)
{
int
scalable
=
1
;
if
(
images
[
m
].
cpeaks
[
j
].
p
<
0
.
1
)
scalable
=
0
;
if
(
!
images
[
m
].
cpeaks
[
j
].
valid
)
{
scalable
=
0
;
}
else
{
double
v
=
fabs
(
images
[
m
].
cpeaks
[
j
].
intensity
);
if
(
v
<
0
.
1
)
scalable
=
0
;
}
images
[
m
].
cpeaks
[
j
].
scalable
=
scalable
;
}
}
}
int
main
(
int
argc
,
char
*
argv
[])
{
int
c
;
...
...
@@ -432,6 +461,7 @@ int main(int argc, char *argv[])
/* Make initial estimates */
STATUS
(
"Performing initial scaling.
\n
"
);
select_scalable_reflections
(
images
,
n_total_patterns
);
I_full
=
scale_intensities
(
images
,
n_total_patterns
,
sym
,
obs
);
/* Iterate */
...
...
@@ -463,6 +493,7 @@ int main(int argc, char *argv[])
/* Re-estimate all the full intensities */
free
(
I_full
);
select_scalable_reflections
(
images
,
n_total_patterns
);
I_full
=
scale_intensities
(
images
,
n_total_patterns
,
sym
,
obs
);
fclose
(
fhg
);
...
...
src/post-refinement.c
View file @
4398834a
...
...
@@ -237,9 +237,7 @@ double mean_partial_dev(struct image *image, struct cpeak *spots, int n,
kind
=
spots
[
h
].
k
;
lind
=
spots
[
h
].
l
;
/* Don't attempt to use spots with very small
* partialities, since it won't be accurate. */
if
(
spots
[
h
].
p
<
0
.
1
)
continue
;
if
(
!
spots
[
h
].
scalable
)
continue
;
/* Actual measurement of this reflection from this
* pattern? */
...
...
@@ -309,9 +307,7 @@ double pr_iterate(struct image *image, double *i_full, const char *sym,
kind
=
spots
[
h
].
k
;
lind
=
spots
[
h
].
l
;
/* Don't attempt to use spots with very small
* partialities, since it won't be accurate. */
if
(
spots
[
h
].
p
<
0
.
1
)
continue
;
if
(
!
spots
[
h
].
scalable
)
continue
;
/* Actual measurement of this reflection from this
* pattern? */
...
...
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