Appendix A: Test output from MOSFLM

data_rac1[complex_GNP_Mg]
_entry.id                 'rac1'
_diffrn.id                'complex_GNP_Mg'
_audit.creation_DayTime    '1998-04-23T09:19:40+01:00'
_audit.ebi_image_start          1
_audit.ebi_image_end            6

_software.name            'MOSFLM'
_software.version         'Version 5.50 for Image plate data 20/11/97'
_software.classification        'data reduction'
_software.contact_author        'Andrew Leslie'
_software.contact_author_email 'andrew@mrc-lmb.cam.ac.uk'
_software.description       'reflection data processing'


_cell.length_a      43.673
_cell.length_b      46.440
_cell.length_c     103.050
_cell.angle_alpha    90.00
_cell.angle_beta     90.00
_cell.angle_gamma    90.00

_Symmetry.Int_Tables_number     16
_Symmetry.space_group_name_H-M   'P222      '

_diffrn_measurement.detector_distance  200.9000
_diffrn_measurement.device 'oscillation camera'
_diffrn_radiation.wavelength_id         1
_diffrn_radiation_wavelength.wavelength    0.8700

_exptl_crystal_grow_comp.details
;
20% PEG 8k, 4oC, 20mM TrisHCL buffer pH 7.6, 10mM MgCl2, 5mM DDT
;

_diffrn_source.source   'synchrotron'
_diffrn_detector.detector  'image plate detector'
_diffrn_detector.type  'MAR_M300 with spiral readout'
_diffrn_radiation.polarisn_ratio     0.8600
_diffrn_radiation.polarisation_collimation  'synchrotron'

_ebi_diffrn_images.mosaicity_min                      0.175
_ebi_diffrn_images.mosaicity_max                      0.175
_ebi_diffrn_images.mosaicity_mean                     0.175
_ebi_diffrn_images.beam_divergence_Horizontal_mean    0.180
_ebi_diffrn_images.beam_divergence_Vertical_mean      0.155

_diffrn_measurement.ebi_d_res_high      1.380
_diffrn_measurement.ebi_d_res_low      23.317


loop_
_ebi_diffrn_images.id      
_ebi_diffrn_images.rms_positional_residual
_ebi_diffrn_images.weighted_rms_positional_residual
_ebi_diffrn_images.mean_I_over_SigmaI
_ebi_diffrn_images.I_over_Sigma_I_res_high
_ebi_diffrn_images.Intensity_R_factor_symmetry_reflection
_ebi_diffrn_images.number_symmetry_related_observations
_ebi_diffrn_images.agreement_ratio_symm_Int_to_esd
     1   0.024        0.9     44.5     11.9     0.024      8     3.0
     2   0.022        0.8     46.8     11.5     0.025      2     0.6
     3   0.028        1.0     46.1     11.2     0.063     10     2.1
     4   0.026        1.0     45.9     10.5     0.125      6     2.0
     5   0.025        0.9     46.7     10.4     0.000      0     0.0
     6   0.026        1.0     44.5     11.2     0.238      4     2.7