Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f8f1aa4745d068e212a031b658bae4e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 83.000,
"b": 96.796,
"c": 58.087,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.040,1.650],
"number_observations": 184187,
"number_observations_unique": 28528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.650],
"number_observations": 5709,
"number_observations_unique": 1271,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.064
},
{
"type": "R(meas)",
"value": 1.198
},
{
"type": "R(pim)",
"value": 0.537
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.692
}
]
},
{
"resolution_limits": [29.040,8.860],
"number_observations": 1315,
"number_observations_unique": 217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 44.900
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}