snum { hkl { hkl_stat_file = '/home/isengard/data/neal054/work/neal054_a.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 { program = *XL XH ShelXH-1997 ShelXL ShelXL-1997 'olex2.refine' Unknown method = '*Least Squares' CGLS 'Gauss-Newton' 'Levenberg-Marquardt' \ 'Full Matrix' Unknown max_cycles = '10' } history { current_node = 'fb838cf90a7eb7571b19542c83bcb7a3' } }