Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b46a949b047474532cb405731c4cd6f",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 80.628,
"b": 96.130,
"c": 105.397,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [3.12000,4.20000,0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.00,2.10],
"number_observations_unique": 19234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 80.2
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.21,2.10],
"number_observations_unique": 2357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(pim)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 68.1
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [1.35,1.33],
"number_observations_unique": 4505,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.273
},
{
"type": "R(pim)",
"value": 0.598
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.465
}
]
}
]
}