Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a801a078291e3b394eb134066c86bb1f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.921,
"b": 93.260,
"c": 161.275,
"alpha": 90.00,
"beta": 95.12,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.630,1.990],
"number_observations": 256693,
"number_observations_unique": 130308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.990],
"number_observations": 12610,
"number_observations_unique": 6367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.428
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [46.630,10.890],
"number_observations": 1560,
"number_observations_unique": 843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 32.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}