Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35b3aab7ddbb06baa698721da2a0aeab",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.457,
"b": 54.189,
"c": 45.701,
"alpha": 90.00,
"beta": 99.49,
"gamma": 90.00
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.08,1.336],
"number_observations_unique": 57524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 18.0
},
{
"type": "Completeness",
"value": 94.2
},
{
"type": "Redundancy",
"value": 3.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.359,1.336],
"number_observations_unique": 2972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.465
},
{
"type": "R(meas)",
"value": 0.572
},
{
"type": "R(pim)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
}
]
}