Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9825da8a6e71de8b04f0851c14d16aab",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 214.795,
"b": 120.414,
"c": 134.417,
"alpha": 90.0,
"beta": 123.6,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [111.960,2.220],
"number_observations": 325121,
"number_observations_unique": 138444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.220],
"number_observations_unique": 20005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.677
},
{
"type": "R(meas)",
"value": 0.886
},
{
"type": "R(pim)",
"value": 0.566
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.555
}
]
},
{
"resolution_limits": [111.960,7.020],
"number_observations_unique": 4542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}