Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "92d83bfba803a51eadbc99eec6a43958",
"space_group_name": "P 1",
"unit_cell": {
"a": 58.940,
"b": 70.101,
"c": 85.447,
"alpha": 102.81,
"beta": 95.84,
"gamma": 112.42
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.470,2.420],
"number_observations": 152029,
"number_observations_unique": 44396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
"refln_shells": [
{
"resolution_limits": [2.520,2.420],
"number_observations": 15382,
"number_observations_unique": 4584,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.383
},
{
"type": "R(meas)",
"value": 1.653
},
{
"type": "R(pim)",
"value": 0.890
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.335
}
]
},
{
"resolution_limits": [81.470,9.070],
"number_observations": 3200,
"number_observations_unique": 866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
}
]
}