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Oleksii Turkot
CrystFEL
Commits
0f2ebab6
Commit
0f2ebab6
authored
Jul 29, 2012
by
Thomas White
Browse files
check_hkl: Don't report low completeness just because some sigma values are silly
parent
e110f9fc
Changes
1
Hide whitespace changes
Inline
Side-by-side
src/check_hkl.c
View file @
0f2ebab6
...
...
@@ -73,6 +73,7 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym,
int
possible
[
NBINS
];
unsigned
int
measurements
[
NBINS
];
unsigned
int
measured
[
NBINS
];
unsigned
int
snr_measured
[
NBINS
];
double
total_vol
,
vol_per_shell
;
double
rmins
[
NBINS
];
double
rmaxs
[
NBINS
];
...
...
@@ -107,6 +108,7 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym,
cts
[
i
]
=
0
;
possible
[
i
]
=
0
;
measured
[
i
]
=
0
;
snr_measured
[
i
]
=
0
;
measurements
[
i
]
=
0
;
snr
[
i
]
=
0
;
var
[
i
]
=
0
;
...
...
@@ -213,13 +215,11 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym,
}
if
(
bin
==
-
1
)
continue
;
if
(
!
isfinite
(
val
/
esd
)
)
{
nsilly
++
;
continue
;
}
measured
[
bin
]
++
;
mean
[
bin
]
+=
get_intensity
(
refl
);
if
(
!
isfinite
(
val
/
esd
)
)
nsilly
++
;
}
for
(
i
=
0
;
i
<
NBINS
;
i
++
)
{
...
...
@@ -255,16 +255,20 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym,
continue
;
}
if
(
!
isfinite
(
val
/
esd
)
)
continue
;
/* measured[bin] was done earlier */
measurements
[
bin
]
+=
get_redundancy
(
refl
);
snr
[
bin
]
+=
val
/
esd
;
snr_total
+=
val
/
esd
;
if
(
isfinite
(
val
/
esd
)
)
{
snr
[
bin
]
+=
val
/
esd
;
snr_total
+=
val
/
esd
;
snr_measured
[
bin
]
++
;
}
nrefl
++
;
nmeastot
+=
get_redundancy
(
refl
);
var
[
bin
]
+=
pow
(
val
-
mean
[
bin
],
2
.
0
);
}
STATUS
(
"overall <snr> = %f
\n
"
,
snr_total
/
(
double
)
nrefl
);
STATUS
(
"%i measurements in total.
\n
"
,
nmeastot
);
...
...
@@ -295,7 +299,7 @@ static void plot_shells(RefList *list, UnitCell *cell, const SymOpList *sym,
100
.
0
*
(
double
)
measured
[
i
]
/
possible
[
i
],
measurements
[
i
],
(
double
)
measurements
[
i
]
/
measured
[
i
],
snr
[
i
]
/
(
double
)
measured
[
i
],
snr
[
i
]
/
(
double
)
snr_
measured
[
i
],
sqrt
(
var
[
i
]
/
measured
[
i
]),
mean
[
i
],
(
1
.
0
/
cen
)
*
1e10
);
...
...
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