Changes

The IDXREF step of [[XDS]]  

The IDXREF step of [[XDS]]  

# reads a list of spot positions from SPOT.XDS and converts them to vectors in reciprocal space

# reads a list of spot positions from SPOT.XDS and converts them to vectors in reciprocal space (which requires suitable values for ORGX, ORGY, DETECTOR_DISTANCE, OSCILLATION_RANGE, X-RAY_WAVELENGTH, QX, QY, DIRECTION_OF_DETECTOR_X-AXIS, DIRECTION_OF_DETECTOR_Y-AXIS, INCIDENT_BEAM_DIRECTION, ROTATION_AXIS)

# calculates primitive unit cell parameters from the (clustered) difference vectors

# calculates primitive unit cell parameters from the (clustered) difference vectors

# as a control, prints out indices (which should be close to integer numbers) corresponding to difference vectors

# as a control, prints out indices (which should be close to integer numbers) corresponding to difference vectors