Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "725aad6b0a811ccab7354fdf898ebaae",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 108.558,
"b": 83.619,
"c": 87.562,
"alpha": 90.00,
"beta": 107.99,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.87,2.850],
"number_observations_unique": 17484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations_unique": 2499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.942
},
{
"type": "R(pim)",
"value": 0.447
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
}
]
}