Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "71d5171e442b32f08334a2162ad9e0cd",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 57.809,
"b": 57.809,
"c": 396.974,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [198.520,2.200],
"number_observations": 392362,
"number_observations_unique": 21537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.537
},
{
"type": "R(meas)",
"value": 0.552
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.260,2.200],
"number_observations": 29466,
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.882
},
{
"type": "R(meas)",
"value": 5.019
},
{
"type": "R(pim)",
"value": 1.153
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.400
},
{
"type": "CC(1/2)",
"value": 0.601
}
]
},
{
"resolution_limits": [198.520,9.590],
"number_observations": 5189,
"number_observations_unique": 377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}