Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0dbcc632ac5c6cfb22d64a24f89a08be",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 111.294,
"b": 111.294,
"c": 112.861,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95360],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.910,3.1770],
"number_observations_unique": 13965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 16.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.400,3.180],
"number_observations": 40055,
"number_observations_unique": 2418,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.137
},
{
"type": "R(meas)",
"value": 1.173
},
{
"type": "R(pim)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 16.600
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [49.910,8.990],
"number_observations": 10010,
"number_observations_unique": 688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 66.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 14.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}