Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "382b0980a2066512a07b3f37a6310aa4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.210,
"b": 98.637,
"c": 59.136,
"alpha": 90.000,
"beta": 107.821,
"gamma": 90.000
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.64,1.72],
"number_observations_unique": 63943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 25.8
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 10.2
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.75,1.72],
"number_observations_unique": 3287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.714
},
{
"type": "R(pim)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
}
]
}