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. If no weights are specified on the commandline, the program tries to open name.cif
    If found, it tries to extract weighta, weightb and the wavelength.
  3. If no weights are found or set, they are set to zero.
  4. 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 σ
    _refln_observed_status
    (fcf file)
    status
    _refln_status
    (fcf file)
    status
    _refln_XD_refine_code
    (fco file)
    status
    _shelx_refinement_sigma σ (weights applied)
  5. Ignore reflections if:
  6. Calculate various variables.
  7. You specify what to plot

Invocation

anafcf [-v] [-d] [dotsize=size] [mode=m] [a=weighta] [b=weightb] [crit=c] [nbin=n] fcffile
EVPY Suite Overview