Added method for correcting time of flight spot centroids.

src/dials/algorithms/centroid/__init__.py

@@ -81,8 +81,6 @@ def tof_centroid_px_to_mm_panel(panel, scan, position, variance, sd_error):
  tof = scan.get_property("time_of_flight") # (usec)
  frames = [i + 1 for i in range(len(tof))]
  frame_to_tof = frame_to_tof_interpolator(frames, tof)
- scale = pixel_size + (tof[0],)
- scale2 = tuple(s * s for s in scale)
 
  if isinstance(position, tuple):
  # Convert Pixel coordinate into mm/rad

src/dials/algorithms/spot_finding/finder.py

@@ -911,8 +911,24 @@ def __init__(
 
  self.experiments = experiments
 
+ def _correct_centroid_tof(self, reflections):
+
+ """
+ Sets the centroid of the spot to the peak position along the
+ time of flight, as this tends to more accurately represent the true
+ centroid for spallation sources.
+ """
+
+ x, y, tof = reflections["xyzobs.px.value"].parts()
+ peak_x, peak_y, peak_tof = reflections["shoebox"].peak_coordinates().parts()
+ reflections["xyzobs.px.value"] = flex.vec3_double(x, y, peak_tof)
+
+ return reflections
+
  def _post_process(self, reflections):
 
+ reflections = self._correct_centroid_tof(reflections)
+
  n_rows = reflections.nrows()
  panel_numbers = flex.size_t(reflections["panel"])
  reflections["L1"] = flex.double(n_rows)