Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "39301d6063138aaa0aa412d49b59f8a7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 33.003,
"b": 28.472,
"c": 83.604,
"alpha": 90.00,
"beta": 90.43,
"gamma": 90.00
},
"wavelengths": [0.97777],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.0,1.0],
"number_observations_unique": 82616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 19.8
},
{
"type": "Completeness",
"value": 97.73
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.02,1.0],
"number_observations_unique": 3883,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "R(meas)",
"value": 0.637
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 93.3
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
}
]
}