Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f36a0a0e2bfb8262d5a72361d90bca9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.511,
"b": 41.248,
"c": 71.936,
"alpha": 90.00,
"beta": 104.07,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.20],
"number_observations_unique": 72229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 20.1
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.22,1.20],
"number_observations_unique": 3437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.578
},
{
"type": "R(meas)",
"value": 0.674
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 91.4
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
}
]
}