Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d6eaa38ade89e23d7ea36753dc44e643",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 86.889,
"b": 90.764,
"c": 146.850,
"alpha": 90.00,
"beta": 90.81,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.950,1.400],
"number_observations": 1533812,
"number_observations_unique": 440251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 68936,
"number_observations_unique": 21837,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.019
},
{
"type": "R(meas)",
"value": 1.225
},
{
"type": "R(pim)",
"value": 0.670
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
}
]
}