Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7be214b83db384def695d5bad3203081",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.807,
"b": 83.334,
"c": 95.568,
"alpha": 90.00,
"beta": 91.68,
"gamma": 90.00
},
"wavelengths": [2.80000,4.50000,1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.78,2.3],
"number_observations_unique": 32586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.08
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 85.4
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
"refln_shells": [
{
"resolution_limits": [2.42,2.3],
"number_observations_unique": 4490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 74.7
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.637
}
]
},
{
"resolution_limits": [2.07,2.0],
"number_observations_unique": 6226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "R(pim)",
"value": 0.1177
},
{
"type": "I/SigI",
"value": 3.9
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
}
]
}