Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d7f39fb654851f54e27482227c15eca",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 60.06,
"b": 60.06,
"c": 110.25,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.610,2.030],
"number_observations": 171699,
"number_observations_unique": 13712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,2.030],
"number_observations": 12723,
"number_observations_unique": 990,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.750
},
{
"type": "R(meas)",
"value": 1.822
},
{
"type": "R(pim)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [40.610,9.080],
"number_observations": 2002,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 42.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}