diff options
| -rw-r--r-- | scripts/plot-cc-and-scale.R | 23 | ||||
| -rw-r--r-- | src/process_hkl.c | 2 |
2 files changed, 24 insertions, 1 deletions
diff --git a/scripts/plot-cc-and-scale.R b/scripts/plot-cc-and-scale.R new file mode 100644 index 00000000..75850e85 --- /dev/null +++ b/scripts/plot-cc-and-scale.R @@ -0,0 +1,23 @@ +# Example R script to plot scale factor and CC +# +# by Takanori Nakane (nakane.t@gmail.com) + +scale_cc <- read.table("scale.csv", sep=",", col.names=c("ImageName", "ScaleFactor", "CC")) + +# scatter plot +# FIXME: sometimes white lines appear on the plot. +# seems to be a bug in smoothScatter + +smoothScatter(scale_cc$ScaleFactor, scale_cc$CC, + nbin=200, xlim=c(0, 2), ylim=c(0, 1), + xlab="Scale Factor", ylab="CC", main="Scale factor & CC") + +# histogram + +par(mfrow=c(2,1)) +plot(scale_cc$ScaleFactor, type='h', ylab="Scale Factor", xlab="#Crystal") +abline(h=mean(sf[,2])+(-5:5)*sd(sf[,2]), col=2) + +hist(scale_cc$ScaleFactor, breaks=100, main="Distribution of Scale Factor", xlab="Scale Factor") +abline(v=mean(sf[,2])+(-5:5)*sd(sf[,2]), col=2) +par(mfrow=c(1,1))
\ No newline at end of file diff --git a/src/process_hkl.c b/src/process_hkl.c index b72b84f1..fba37183 100644 --- a/src/process_hkl.c +++ b/src/process_hkl.c @@ -274,7 +274,7 @@ static int merge_crystal(RefList *model, struct image *image, Crystal *cr, crystal_get_reflections(cr), sym); cc = cc_intensities(reference, crystal_get_reflections(cr), sym); if (stat != NULL) { - fprintf(stat, "%s,%f,%f\n",image->filename, scale, cc); + fprintf(stat, "%s,%f,%f\n",image->filename, scale, cc); } if (cc < min_cc || scale <= 0) return 1; } else { |