snum {
  current_process_diagnostics = 'refinement'
  hkl {
    hkl_stat_file = '/home/isengard/data/neal054/work/neal054.hkl'
  }
  solution {
    program = ShelXS ShelXS-1997 ShelXS-1986 XS XT *ShelXT 'olex2.solve' XM \
              ShelXD ShelXD-1997 SIR2002 SIR2004 SIR2008 SIR2011 Superflip \
              Unknown ShelXS-2013 ShelXS86 ShelXD-2013
    method = 'Dual Space' 'Charge Flipping' 'Direct Methods' \
             'Patterson Method' 'Structure Expansion' '*Intrinsic Phasing' \
             Unknown
    current_atomic_volume = '19.8'
  }
  refinement {
    data_parameter_ratio = '10.9411764706'
    parameters = '221.0'
    max_shift_over_esd = '0.000'
    max_shift_over_esd_atom = 'H1A'
    max_shift_site = '0'
    max_shift_site_atom = 'H1B'
    max_shift_u = '0'
    max_shift_u_atom = 'C10'
    max_peak = '1.75'
    max_hole = '-1.31'
    goof = '1.08815'
    flack_str = '-0.034(13)'
    hooft_str = '-0.002(7)'
    last_R1 = '0.047781'
    last_wR2 = '0.137032'
    program = *XL XH ShelXH-1997 ShelXL ShelXL-1997 'olex2.refine' Unknown
    method = '*Least Squares' CGLS 'Gauss-Newton' 'Levenberg-Marquardt' \
             'Full Matrix' Unknown
    max_cycles = '20'
    max_peaks = '5'
    suggested_weight = '0.0993 0.2502'
    refine_extinction = '0'
  }
  history {
    current_node = 'f0375a738197c0c123e577fe6b0ce7f9'
  }
}