Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e75262081f2de4bab2f7e0813fed1f31",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.998,
"b": 77.681,
"c": 78.064,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96861],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.78,1.9],
"number_observations_unique": 22633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 93.6
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.94,1.90],
"number_observations_unique": 1224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.931
},
{
"type": "R(pim)",
"value": 0.579
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 76.8
},
{
"type": "Redundancy",
"value": 4.8
},
{
"type": "CC(1/2)",
"value": 0.599
}
]
}
]
}