Changing the goniometer angle in R

from iotbx.reflection_file_reader import any_reflection_file

import numpy as np

import scipy.linalg

import argparse

parser = argparse.ArgumentParser()

parser.add_argument('phi', type=float, help='Goniometer angle in degrees')

args = parser.parse_args()

instrument_mask = 'instrument_coverage.nxs'

mtz_file = '5VNQ.0.mtz'

U = np.eye(3) # sample orientation, comes from indexing

####

R = np.eye(3) # goniometer setting, comes from goniometer

#R = np.eye(3) # goniometer setting, comes from goniometer

phi=args.phi*np.pi/180 

R = np.array([[np.cos(phi),0,np.sin(phi)],

              [0,1,0],

              [-np.sin(phi), 0, np.cos(phi)]]) # goniometer setting, comes from goniometer

####

RUB_inv = np.linalg.inv(R @ U @ B)