Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a26dc86123fa3c32cc6c1f6e400cf987",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 85.798,
"b": 56.951,
"c": 32.359,
"alpha": 90.00,
"beta": 94.94,
"gamma": 90.00
},
"wavelengths": [0.94055],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.42,1.25],
"number_observations": 286987,
"number_observations_unique": 42669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [1.27,1.25],
"number_observations": 13856,
"number_observations_unique": 2126,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.726
},
{
"type": "R(meas)",
"value": 4.070
},
{
"type": "R(pim)",
"value": 1.609
},
{
"type": "I/SigI",
"value": 0.5
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.517
}
]
}
]
}