laue_dials.compute_rmsds

Introduction

This program computes and plots the RMSDs between observed and predicted centroids in a reflection table.

Examples:

laue.compute_rmsds [options] filename.expt filename.refl

Basic parameters

show = True
save = False
csv = None
output = "residuals.png"
refined_only = False
log = 'laue.compute_rmsds.log'
ymax = None
dotsize = None

Full parameter definitions

show = True
  .help = "Show the plot of centroid RMSDs per image."
  .type = bool
save = False
  .help = "Save the plot of centroid RMSDs per image to a PNG file."
  .type = bool
csv = None
  .help = "Save a CSV of the RMSDs per image with this filename."
  .type = str
output = "residuals.png"
  .help = "The filename for the generated plot."
  .type = str
refined_only = False
  .help = "Only compute refined spot RMSDs."
  .type = bool
log = 'laue.compute_rmsds.log'
  .help = "The log filename."
  .type = str
ymax = None
  .help = "Desired ymax for plot. Defaults to maximum of data."
  .type = int(allow_none=True)
dotsize = None
  .help = "Desired dot size for plot in points**2. Defaults to 16."
  .type = int(allow_none=True)