Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b5d1a2acc0ced3d177f5e68e3be46ff",
"space_group_name": "P 1",
"unit_cell": {
"a": 78.217,
"b": 110.320,
"c": 118.234,
"alpha": 113.85,
"beta": 102.26,
"gamma": 101.29
},
"wavelengths": [0.97619],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [95.760,2.490],
"number_observations": 281718,
"number_observations_unique": 114333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
"refln_shells": [
{
"resolution_limits": [2.550,2.490],
"number_observations": 20892,
"number_observations_unique": 8425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.870
},
{
"type": "R(pim)",
"value": 0.522
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [95.760,11.140],
"number_observations": 3253,
"number_observations_unique": 1294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
}
]
}