Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fff5af2432aa3af0cff53f6567b95538",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 73.011,
"b": 46.747,
"c": 42.818,
"alpha": 90.00,
"beta": 97.84,
"gamma": 90.00
},
"wavelengths": [0.97879],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.630,1.500],
"number_observations_unique": 22756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 3769,
"number_observations_unique": 1101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.571
},
{
"type": "R(pim)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [19.630,8.220],
"number_observations": 455,
"number_observations_unique": 139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 48.600
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}