# use Pearson correlation coefficient to calculate Ic Io residuals. 

USE_1-CC_FOR_R  ON/OFF   # this will calculate R as 1 - CC


# Use angular convolution to compute disorientation. Easier to use, often faster, but less accurate 
# than using pre-computed integrals. Good enough for qualitative simulations. By default it is off.

ANGULAR_CONVOLUTION  ON/OFF 


# Use pre-calculated table for Bessel calculations (with lookups and interpolations).
# Usually faster but not as accurate, good for "non-production" or large simulations.
# Note that the performance depends on your computer architecture, esp. cache structures,
# so play with it and find out the optimal setup. By default it is ON.

USE_BESSEL_LOOKUP  ON/OFF


# With USE_BESSEL_LOOKUP ON, you can specify how accurate you want the Bessel lookup to be. 
# The default step size is 10, that is, for each x (2PiRr), J(N, x) is precalculated in a
# step of 0.1, from 0 to xmax. So the larger the number, the more accurate the interpolation.

BESSEL_TABLE_X_FACTOR  value


# Manually set the scale value between the calculated and the observed intensities.
# Look at the disorder log file for the scale Disorder calculated to get an idea what this
# value should be. Compare the calculated and observed intensities on the pattern and see.

SET_SCALE_FACTOR  value


# With USE_B_FACTORS ON, you can specify B factors for individual or a group of residues.

SET_B_FACTORS 217 225 100.0  #  res_start  res_end  B_value  


# Read spider volume and compute its diffraction

READ_SPIDER_VOLUME  spider_file
SP_VOXEL_SIZE  value
FIBER_REPEAT value


# Set pattern display program (fit2d is used if not specified) with either full path or 
# path relative to the location of the script file. 

PATTERN_DISPLAY_PROGRAM  ../wcen.x