Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "c0b703285c9d048bbd33e23eb59e0b2d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.184,
"b": 102.899,
"c": 81.488,
"alpha": 90.00,
"beta": 110.14,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.73,1.73],
"number_observations_unique": 102862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.76,1.73],
"number_observations": 16122,
"number_observations_unique": 5027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.624
},
{
"type": "R(meas)",
"value": 0.750
},
{
"type": "R(pim)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.695
}
]
}
]
}