Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2bb3a9d83a696254a387a10b6b3f7a92",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 126.326,
"b": 126.326,
"c": 41.648,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.340,1.820],
"number_observations": 349933,
"number_observations_unique": 34551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 24.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 25193,
"number_observations_unique": 2507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.983
},
{
"type": "R(meas)",
"value": 1.036
},
{
"type": "R(pim)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [29.340,8.130],
"number_observations": 4106,
"number_observations_unique": 418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 93.800
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}