Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4c372d1eaceccc98b241167c12e93de4",
"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": [2.00000,4.16000,1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [14.43,2.3],
"number_observations_unique": 39816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 97
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
"refln_shells": [
{
"resolution_limits": [2.38,2.3],
"number_observations_unique": 3920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [2.07,2.0],
"number_observations_unique": 6227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "R(pim)",
"value": 0.258
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.667
}
]
}
]
}