Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2c62e5a126995cf50d96d79a9518ec8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 207.193,
"b": 112.922,
"c": 188.595,
"alpha": 90.00,
"beta": 92.15,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [103.523,2.185],
"number_observations": 1030670,
"number_observations_unique": 145380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 93.8
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.433,2.185],
"number_observations": 50250,
"number_observations_unique": 7270,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.252
},
{
"type": "R(pim)",
"value": 0.512
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [103.523,6.921],
"number_observations": 50901,
"number_observations_unique": 7268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 34.3
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}