Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bed1e84849b2c04bed02b25f035f2ea6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.01,
"b": 49.65,
"c": 116.14,
"alpha": 90.00,
"beta": 95.08,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.700,2.800],
"number_observations": 73824,
"number_observations_unique": 22649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.800],
"number_observations": 5592,
"number_observations_unique": 1695,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.582
},
{
"type": "R(meas)",
"value": 1.885
},
{
"type": "R(pim)",
"value": 1.015
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.276
}
]
},
{
"resolution_limits": [79.700,12.520],
"number_observations": 786,
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}