Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3271344945fae7ea2d91de8e78dd515",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.479,
"b": 101.880,
"c": 131.338,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.040,1.700],
"number_observations": 298106,
"number_observations_unique": 77240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 13703,
"number_observations_unique": 3812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.659
},
{
"type": "R(pim)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [48.040,9.000],
"number_observations": 2492,
"number_observations_unique": 595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}