Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ead267afb35348ec230f098fc754539d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 207.725,
"b": 113.012,
"c": 188.817,
"alpha": 90.00,
"beta": 91.63,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [99.262,2.041],
"number_observations": 1204439,
"number_observations_unique": 172848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 89.8
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.041],
"number_observations": 57171,
"number_observations_unique": 8643,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.088
},
{
"type": "R(pim)",
"value": 0.449
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [99.262,6.539],
"number_observations": 59701,
"number_observations_unique": 8641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 35.9
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}