Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4c5ac5f2779df65110a2eacaa312322",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 93.87,
"b": 89.75,
"c": 98.28,
"alpha": 90.00,
"beta": 96.31,
"gamma": 90.00
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.420,2.070],
"number_observations": 209621,
"number_observations_unique": 48744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.070],
"number_observations": 15403,
"number_observations_unique": 3558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(pim)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.733
}
]
},
{
"resolution_limits": [31.420,9.260],
"number_observations": 2160,
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}