Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fab4dbcaf74f64ea67c598bd7005f209",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 108.888,
"b": 41.670,
"c": 30.190,
"alpha": 90.00,
"beta": 102.58,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.14,1.200],
"number_observations_unique": 39068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 4959,
"number_observations_unique": 1944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [29.470,6.460],
"number_observations": 985,
"number_observations_unique": 287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 34.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
}
]
}