Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "25d4ca93020fd8b922ae706ea79370c5",
"space_group_name": "P 1",
"unit_cell": {
"a": 50.313,
"b": 50.395,
"c": 82.577,
"alpha": 82.32,
"beta": 75.59,
"gamma": 72.05
},
"wavelengths": [0.95000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.850,2.040],
"number_observations": 166704,
"number_observations_unique": 46798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.040],
"number_observations": 11624,
"number_observations_unique": 3421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.342
},
{
"type": "R(pim)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [47.850,9.110],
"number_observations": 1808,
"number_observations_unique": 528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 32.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}