#
#     Copyright (C) 1999-2004  Liz Potterton, Peter Briggs
#
#     This code is distributed under the terms and conditions of the
#     CCP4 Program Suite Licence Agreement as a CCP4 Library.
#     A copy of the CCP4 licence can be obtained by writing to the
#     CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
#
#CCP4i_cvs_Id $Id$
#CCP4I VERSION CCP4Interface 1.25
#CCP4I SCRIPT DEF sigmaa
#CCP4I DATE  9/11/00
#CCP4I USER ccb

TITLE           _title_text             ""
INPUT_FILES     _list_of_text           HKLIN
OUTPUT_FILES    _list_of_text           HKLOUT

HKLIN           _MTZ_file               ""
DIR_HKLIN       _default_dirs           ""
HKLOUT          _MTZ_file               ""
DIR_HKLOUT      _default_dirs           ""
XYZIN           _pdb_file               ""
DIR_XYZIN       _default_dirs           ""

FP              _mtz_label_f            ""
SIGFP           _mtz_label_sig          ""
FC              _mtz_label_f            ""
PHIC            _mtz_label_phi          ""
PHIBP           _mtz_label_phi          ""
PHIB2           _mtz_label_phi          ""
WP              _mtz_label_w            ""
W2              _mtz_label_w            ""
NPS             _positiveint            0
FCN,0           _mtz_label_f            ""
PHICN,0         _mtz_label_phi          ""
PHCMB           _mtz_label_out          "PHCMB"
WCMB            _mtz_label_out          "WCMB"
PHDELFWT        _mtz_label_out          "PHDELFWT"
DELFWT          _mtz_label_out          "DELFWT"
PHFWT           _mtz_label_out          "PHFWT"
FWT             _mtz_label_out          "FWT"
HLAC            _mtz_label_out          "HLAC"
HLBC            _mtz_label_out          "HLBC"
HLCC            _mtz_label_out          "HLCC"
HLDC            _mtz_label_out          "HLDC"

HLA             _mtz_label_hl           ""
HLB             _mtz_label_hl           ""     
HLC             _mtz_label_hl           ""
HLD             _mtz_label_hl           ""
HLA2            _mtz_label_hl           ""
HLB2            _mtz_label_hl           ""     
HLC2            _mtz_label_hl           ""
HLD2            _mtz_label_hl           ""

SIGMAA_ACTION       _sigmaa_calc_type   PART
SIGMAA_ERROR        _logical                0
SIGMAA_RESOLUTION   _logical                0
SIGMAA_RANGES       _logical                0

RESOLUTION_MIN  _resolution             ""
RESOLUTION_MAX  _resolution             ""
RANGES_NBIN     _positiveint            20
RANGES_MON      _positiveint            1000

SIGMAA_SPACE_GROUP     _space_group            ""

DAMP            _real                   1.0
DAMPN,0         _real                   1.0

SIGMAA_SIGMA    _logical                0
USE_HL          _logical                0

USE_SFALL       _logical                0
IFCELL          _logical                        0
CELL_1          _cell_length               ""
CELL_2          _cell_length               ""
CELL_3          _cell_length               ""
CELL_4          _cell_angle                ""
CELL_5          _cell_angle                ""
CELL_6          _cell_angle                ""
GRID_1          _positiveint            ""
GRID_2          _positiveint            ""
GRID_3          _positiveint            ""
SFALL_FC        _mtz_label_out          "FC"
SFALL_PHIC      _mtz_label_out          "PHIC"
FREE            _mtz_label_freer        ""
