Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8bf2abaa2f1f385545af27b82a0c26e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 115.919,
"b": 92.453,
"c": 156.688,
"alpha": 90.00,
"beta": 95.12,
"gamma": 90.00
},
"wavelengths": [0.99800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.10,3.000],
"number_observations_unique": 39983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 60.2
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.041,3.000],
"number_observations_unique": 567,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.993
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 14.1
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.028
}
]
}
]
}