Prime.phil

From cctbx_xfel
Revision as of 10:28, 11 August 2015 by Aaron (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search
data=<path to results folder>/001
run_no = 001_001
title = sample name
averaging_engine=cpp
scale {
  d_min = 3.3
  d_max = 45
  sigma_min = 1.5
}
postref {
  scale {
    d_min = 3.3
    d_max = 45
    sigma_min = 1.5
    partiality_min = 0.1
  }
  crystal_orientation {
    flag_on = True
    d_min = 3.3
    d_max = 45
    sigma_min = 1.5
    partiality_min = 0.1
  }
  reflecting_range {
    flag_on = True
    d_min = 3.3
    d_max = 45
    sigma_min = 1.5
    partiality_min = 0.1
  }
  unit_cell {
    flag_on = True
    d_min = 3.3
    d_max = 45
    sigma_min = 1.5
    partiality_min = 0.1
    uc_tolerance = 50
    #uc_tolerance = 3
  }
}
merge {
  d_min = 3.3
  d_max = 45
  sigma_min = 1.5
  partiality_min = 0.1
  uc_tolerance = 3
}
target_unit_cell=192.5,192.5,291.1,90.00,90.00,90.00
target_space_group=P43212
target_pointgroup = None
target_anomalous_flag = False
indexing_ambiguity {
  flag_on = False
  index_basis_in = None
}
hklisoin = None
hklrefin = None
flag_plot = False
flag_plot_expert = False
flag_force_no_postrefine = False
n_postref_cycle = 2
n_postref_sub_cycle = 3
n_rejection_cycle = 3
sigma_rejection = 3
n_bins = 20
pixel_size_mm = 0.079346
frame_accept_min_cc = 0.0
n_residues = 3120
flag_apply_b_by_frame = False
wilson_b_max = 500
b_refine_d_min = 99
n_processors = 12
gamma_e = 0.003