Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ec9ab1ca8fe3f533e1aae80f1e77076",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.753,
"b": 56.907,
"c": 114.964,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.860,2.810],
"number_observations": 54826,
"number_observations_unique": 8759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "R(meas)",
"value": 0.510
},
{
"type": "R(pim)",
"value": 0.200
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
"refln_shells": [
{
"resolution_limits": [2.880,2.810],
"number_observations": 4237,
"number_observations_unique": 646,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.718
},
{
"type": "R(meas)",
"value": 2.951
},
{
"type": "R(pim)",
"value": 1.138
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.535
}
]
},
{
"resolution_limits": [56.860,12.570],
"number_observations": 656,
"number_observations_unique": 127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}