Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc35e7739736f77681f682ab9d2aa0aa",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 167.354,
"b": 80.729,
"c": 202.992,
"alpha": 90.00,
"beta": 112.18,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.270,2.850],
"number_observations": 378386,
"number_observations_unique": 58702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.930,2.850],
"number_observations": 30433,
"number_observations_unique": 4558,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.821
},
{
"type": "R(meas)",
"value": 3.059
},
{
"type": "R(pim)",
"value": 1.172
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.305
}
]
}
]
}