Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dbbf900b09ed8a086c26af60f2507a33",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.726,
"b": 82.115,
"c": 54.203,
"alpha": 90.00,
"beta": 110.18,
"gamma": 90.00
},
"wavelengths": [0.97931],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.670,2.210],
"number_observations": 68041,
"number_observations_unique": 20253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.210],
"number_observations": 5265,
"number_observations_unique": 1694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.528
},
{
"type": "R(meas)",
"value": 0.638
},
{
"type": "R(pim)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [46.670,9.090],
"number_observations": 928,
"number_observations_unique": 295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.100
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}