Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b5aa2555545be8712fdb9af22ffaa29",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 99.360,
"b": 99.360,
"c": 168.994,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [168.990,2.260],
"number_observations": 529090,
"number_observations_unique": 40442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.610,2.260],
"number_observations": 184276,
"number_observations_unique": 13906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.689
},
{
"type": "R(pim)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [168.990,4.520],
"number_observations": 65835,
"number_observations_unique": 5390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 24.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}