Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e29c44cc9634e325aad5926bfec60df2",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 55.020,
"b": 81.217,
"c": 88.825,
"alpha": 90.00,
"beta": 96.72,
"gamma": 90.00
},
"wavelengths": [1.54000,3.00000,4.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.75,1.85],
"number_observations_unique": 32013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.92,1.85],
"number_observations_unique": 3127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.671
},
{
"type": "R(pim)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 94.2
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [2.32,2.20],
"number_observations_unique": 1840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 64.2
},
{
"type": "Redundancy",
"value": 2.9
}
]
}
]
}