Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66e6d0f1f10845309c37834bddfc17ca",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.192,
"b": 79.546,
"c": 111.578,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.000,1.396],
"number_observations_unique": 106332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 58020,
"number_observations_unique": 4607,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.349
},
{
"type": "R(meas)",
"value": 1.405
},
{
"type": "R(pim)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 88.400
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.697
}
]
},
{
"resolution_limits": [48.000,7.650],
"number_observations": 8656,
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 52.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}