Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "ee20d4bf249a483565c23e2fe96ed753",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.258,
"b": 41.374,
"c": 72.361,
"alpha": 90.0,
"beta": 104.1,
"gamma": 90.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.20],
"number_observations_unique": 73171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 25.7
},
{
"type": "Completeness",
"value": 96.2
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.22,1.20],
"number_observations_unique": 3558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "R(meas)",
"value": 0.624
},
{
"type": "R(pim)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 93.8
},
{
"type": "Redundancy",
"value": 7.4
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
}
]
}