Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "73b6ec81fd4be1cd019e1ea00b52cd39",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 48.541,
"b": 114.935,
"c": 164.917,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.724,1.997],
"number_observations_unique": 31791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 11.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.05,2.00],
"number_observations": 13661,
"number_observations_unique": 2256,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.790
},
{
"type": "R(meas)",
"value": 6.337
},
{
"type": "R(pim)",
"value": 2.538
},
{
"type": "I/SigI",
"value": 0.3
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.443
}
]
}
]
}