Anafcf


Introduction

anafcf is a program to analyse fcf files. It creates various scatterplots and histograms.

How it works

  1. You specify name.fcf or name.fco
  2. weights
  3. read name.fcf The following items are extracted:
    fcfname item
    _cell_length a b c
    _cell_angle α β γ
    _refln_index_h h
    _refln_index_k k
    _refln_index_l l
    _refln_F_squared_calc Icalc
    _refln_F_squared_meas Iobs
    _refln_F_squared_sigma σobs
    _refln_observed_status
    (fcf file)
    status
    _refln_status
    (fcf file)
    status
    _refln_XD_refine_code
    (fco file)
    status
    _shelx_refinement_sigma σ (weights applied)
  4. Calculate σ
  5. Ignore reflections if:
  6. Calculate various variables.
  7. You specify what to plot

Invocation

anafcf [options] fcffile
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