Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d78301ec2ed9adec02fc60af68c8733",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 114.218,
"b": 154.925,
"c": 135.999,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.060,2.500],
"number_observations_unique": 41102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations_unique": 4717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.710
},
{
"type": "R(meas)",
"value": 0.868
},
{
"type": "R(pim)",
"value": 0.492
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
},
{
"resolution_limits": [47.060,9.010],
"number_observations_unique": 850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}