Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68a477fb92451aacd71c8b7e2d11fb1c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.283,
"b": 73.040,
"c": 52.878,
"alpha": 90.000,
"beta": 109.378,
"gamma": 90.000
},
"wavelengths": [1.54200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.70],
"number_observations_unique": 35726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 24.79
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.80,1.70],
"number_observations_unique": 5629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 6.26
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
}
]
}