Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e99d997de49e15742d373d70fcf8cf37",
"space_group_name": "H 3",
"unit_cell": {
"a": 116.172,
"b": 116.172,
"c": 85.612,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [2.44000,5.28000,1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.0,1.90],
"number_observations_unique": 33212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
"refln_shells": [
{
"resolution_limits": [2.00,1.90],
"number_observations_unique": 4926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.89
},
{
"type": "R(pim)",
"value": 0.428
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 5.1
},
{
"type": "CC(1/2)",
"value": 0.527
}
]
},
{
"resolution_limits": [1.22,1.20],
"number_observations_unique": 6689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9
},
{
"type": "R(pim)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.701
}
]
}
]
}