The following text contains default entries to help you when editing CIFs arising from data collected at the MX1 and MX2 Beamlines at the Australian Synchrotron. The fields listed below contain information specific data collection and processing at the MX1 and MX2 beamlines and will need to be manually edited in the creation of your CIF file.

Please bear in mind that many of the fields in your CIFs will be populated automatically as a result of the XDS processing and refinement, XPREP and structure solution processes.



_audit_creation_method            SHELXL-97

_exptl_crystal_density_method     'not measured'

_exptl_absorpt_correction_type    'Multi-Scan'

_exptl_absorpt_process_details    XDS (Kabsch, 1993)




_diffrn_ambient_temperature       100(2)	(or the temperature that you used during data collection (in K))
_diffrn_radiation_wavelength      0.71073   	(or the energy that you used for data collection - refer to image headers)
_diffrn_radiation_type            Synchrotron
_diffrn_radiation_source          'MX1 Beamline Australian Synchrotron'   or 'MX2 Beamline Australian Synchrotron'
_diffrn_radiation_monochromator   'Silicon Double Crystal'
_diffrn_measurement_device_type   'ADSC Quantum 210r'   for MX1	or 'ADSC Quantum 315r' for MX2
_diffrn_measurement_method        'Phi Scan'
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?



_computing_data_collection        'BluIce (McPhillips, 2002)'
_computing_cell_refinement        'XDS (Kabsch, 1993)'
_computing_data_reduction         'XDS (Kabsch, 1993)'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     'X-Seed (Barbour, 1999)'	(amend depending on your structure solution software)
_computing_publication_material   'CIFTAB (Sheldrick, 1997)'	(amend depending on structure solution software)