Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f13a5515c70cd83562bec241aa7ae871",
"space_group_name": "P 41 3 2",
"unit_cell": {
"a": 169.59,
"b": 169.59,
"c": 169.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.130,2.850],
"number_observations": 178444,
"number_observations_unique": 20080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations": 26080,
"number_observations_unique": 2850,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.669
},
{
"type": "R(pim)",
"value": 0.585
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.542
}
]
},
{
"resolution_limits": [41.130,9.010],
"number_observations": 5725,
"number_observations_unique": 742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}