Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a5621a2e3b6a4a039c8fc99ea82252a6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.023,
"b": 56.290,
"c": 101.811,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.060,1.820],
"number_observations": 189903,
"number_observations_unique": 28841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 13080,
"number_observations_unique": 2020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.796
},
{
"type": "R(meas)",
"value": 0.864
},
{
"type": "R(pim)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [29.060,8.120],
"number_observations": 2269,
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 69.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}