Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9855a7e987af1a89011dbc788ca4c235",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 140.90,
"b": 110.89,
"c": 137.81,
"alpha": 90.00,
"beta": 117.41,
"gamma": 90.00
},
"wavelengths": [0.94000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.540,1.980],
"number_observations": 473080,
"number_observations_unique": 129942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations": 21822,
"number_observations_unique": 6316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.853
},
{
"type": "R(pim)",
"value": 0.529
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.824
}
]
},
{
"resolution_limits": [62.540,10.840],
"number_observations": 2797,
"number_observations_unique": 800,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}