Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c1b93bc166c4304f1d567f4f0963e52",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.83,
"b": 52.95,
"c": 44.54,
"alpha": 90.00,
"beta": 102.71,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.720,2.150],
"number_observations": 52511,
"number_observations_unique": 14058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 3721,
"number_observations_unique": 1045,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.654
},
{
"type": "R(meas)",
"value": 1.949
},
{
"type": "R(pim)",
"value": 1.017
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.325
}
]
},
{
"resolution_limits": [47.720,9.620],
"number_observations": 640,
"number_observations_unique": 171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 41.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}