Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6c6f8bab2c08d6f4532ecad5b93406e1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 101.144,
"b": 143.551,
"c": 174.289,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.730,2.200],
"number_observations": 965686,
"number_observations_unique": 128138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations": 47869,
"number_observations_unique": 6271,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.007
},
{
"type": "R(pim)",
"value": 0.773
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.443
}
]
},
{
"resolution_limits": [19.730,12.050],
"number_observations": 4195,
"number_observations_unique": 684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 67.200
},
{
"type": "Completeness",
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},
{
"type": "Redundancy",
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},
{
"type": "CC(1/2)",
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}
]
}
]
}