Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa7ed599952f87d9cb125c53e7140f61",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.075,
"b": 72.025,
"c": 115.390,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.94640],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.070,2.000],
"number_observations": 227394,
"number_observations_unique": 21689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 11148,
"number_observations_unique": 1439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.852
},
{
"type": "R(pim)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [38.070,8.940],
"number_observations": 3119,
"number_observations_unique": 309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
}
]
}