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authorThomas White <taw@physics.org>2010-07-01 11:00:37 +0200
committerThomas White <taw@physics.org>2012-02-22 15:26:52 +0100
commitc6bbfe2f938f4caa32335f9927efb3d2ea0284bc (patch)
treecfd349dafe2c474c1c5e3720df22392a54b52568
parent44187d0be3e33fb9ab1515698919947074d266ad (diff)
render_hkl: Add rawcts weighting
-rw-r--r--src/render_hkl.c20
1 files changed, 17 insertions, 3 deletions
diff --git a/src/render_hkl.c b/src/render_hkl.c
index ff955084..7e9317f5 100644
--- a/src/render_hkl.c
+++ b/src/render_hkl.c
@@ -32,6 +32,7 @@ enum {
WGHT_I,
WGHT_SQRTI,
WGHT_COUNTS,
+ WGHT_RAWCOUNTS,
};
static void show_help(const char *s)
@@ -49,9 +50,12 @@ static void show_help(const char *s)
" -y, --symmetry=<sym> Expand reflections according to point group <sym>.\n"
" -w --weighting=<wght> Colour/shade the reciprocal lattice points\n"
" according to:\n"
-" I : the intensity of the reflection.\n"
-" sqrtI : the square root of the intensity.\n"
-" count : the number of counts for the reflection.\n"
+" I : the intensity of the reflection.\n"
+" sqrtI : the square root of the intensity.\n"
+" count : the number of hits for the reflection.\n"
+" (after correcting for 'epsilon')\n"
+" rawcts : the raw number of hits for the\n"
+" reflection (no 'epsilon' correction).\n"
);
}
@@ -126,6 +130,10 @@ static void render_za(UnitCell *cell, double *ref, unsigned int *c,
break;
case WGHT_COUNTS :
val = (float)ct;
+ val /= (float)num_equivs(h, k, 0, sym);
+ break;
+ case WGHT_RAWCOUNTS :
+ val = (float)ct;
break;
}
@@ -191,6 +199,10 @@ static void render_za(UnitCell *cell, double *ref, unsigned int *c,
break;
case WGHT_COUNTS :
val = (float)ct;
+ val /= (float)num_equivs(h, k, 0, sym);
+ break;
+ case WGHT_RAWCOUNTS :
+ val = (float)ct;
break;
}
@@ -345,6 +357,8 @@ int main(int argc, char *argv[])
wght = WGHT_SQRTI;
} else if ( strcmp(weighting, "count") == 0 ) {
wght = WGHT_COUNTS;
+ } else if ( strcmp(weighting, "rawcts") == 0 ) {
+ wght = WGHT_RAWCOUNTS;
} else {
ERROR("Unrecognised weighting '%s'\n", weighting);
return 1;