Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "960694c1cffd3bec5dd5cd43dea72f4e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.63,
"b": 68.70,
"c": 56.96,
"alpha": 90.00,
"beta": 92.45,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.910,1.610],
"number_observations": 166698,
"number_observations_unique": 53277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.610],
"number_observations": 10281,
"number_observations_unique": 3922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.865
},
{
"type": "R(meas)",
"value": 1.084
},
{
"type": "R(pim)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.417
}
]
},
{
"resolution_limits": [56.910,7.200],
"number_observations": 2008,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 41.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}