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authorThomas White <taw@physics.org>2010-10-06 11:20:48 +0200
committerThomas White <taw@physics.org>2012-02-22 15:27:01 +0100
commite71349f39bf7bdecfc0ecd0112e99342ad2a9b40 (patch)
tree3992d0f6eace09736ce6cb0b220d7fb3d5b26ff9
parent3f42fce00b80a8073b3c1d2b7bb24446336dec70 (diff)
compare_hkl: Don't forget the scaling factor, and do the division properly
-rw-r--r--src/compare_hkl.c3
1 files changed, 2 insertions, 1 deletions
diff --git a/src/compare_hkl.c b/src/compare_hkl.c
index 7b5d85fa..d1b1340f 100644
--- a/src/compare_hkl.c
+++ b/src/compare_hkl.c
@@ -116,6 +116,7 @@ static void plot_shells(const double *ref1, const double *ref2,
i2 = lookup_intensity(ref2, h, k, l);
if ( i2 < 0.0 ) continue;
f2 = sqrt(i2);
+ f2 *= scale;
num[bin] += fabs(f1 - f2);
den += (f1 + f2) / 2.0;
@@ -128,7 +129,7 @@ static void plot_shells(const double *ref1, const double *ref2,
double r, cen;
cen = rmin + rstep*i + rstep/2.0;
- r = (num[i]/den)*(ctot/cts[i]);
+ r = (num[i]/den)*((double)ctot/cts[i]);
fprintf(fh, "%f %f %i\n", cen*1.0e-9, r*100.0, cts[i]);
}