Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e67d5b4d9c05b34e7e799237ba7e634",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 94.485,
"b": 78.106,
"c": 100.550,
"alpha": 90.0,
"beta": 110.6,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [94.120,2.330],
"number_observations": 216139,
"number_observations_unique": 29405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.410,2.330],
"number_observations": 21582,
"number_observations_unique": 2875,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.724
},
{
"type": "R(pim)",
"value": 0.671
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.576
}
]
},
{
"resolution_limits": [94.120,9.020],
"number_observations": 3807,
"number_observations_unique": 535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 36.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}