Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a2aee245e8d304d130f37ed2b7f28d1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 71.673,
"b": 129.068,
"c": 198.446,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.610,2.000],
"number_observations": 900114,
"number_observations_unique": 124900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,2.000],
"number_observations": 38719,
"number_observations_unique": 6121,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.123
},
{
"type": "R(meas)",
"value": 2.324
},
{
"type": "R(pim)",
"value": 0.928
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.309
}
]
},
{
"resolution_limits": [49.610,10.950],
"number_observations": 6304,
"number_observations_unique": 890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 38.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}