Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0294ab20b354d31954614d868f0c1e66",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 61.67,
"b": 139.24,
"c": 63.95,
"alpha": 90.0,
"beta": 114.9,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.9370,2.7370],
"number_observations_unique": 17906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 85.4
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [3.033,3.023],
"number_observations": 544,
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.016
},
{
"type": "R(meas)",
"value": 1.251
},
{
"type": "R(pim)",
"value": 0.718
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.492
}
]
},
{
"resolution_limits": [49.456,13.926],
"number_observations": 568,
"number_observations_unique": 182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}