Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c1b2178fd662a6d2963e58c8490bb36d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.718,
"b": 78.660,
"c": 48.382,
"alpha": 90.000,
"beta": 97.788,
"gamma": 90.000
},
"wavelengths": [0.96800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.97,1.76],
"number_observations_unique": 29256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.931
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 26.23
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
"refln_shells": [
{
"resolution_limits": [40.97,4.77],
"number_observations_unique": 1509,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.032
},
{
"type": "I/SigI",
"value": 12.88
},
{
"type": "Redundancy",
"value": 48.54
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [1.79,1.76],
"number_observations_unique": 1467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.930
},
{
"type": "I/SigI",
"value": 0.41
},
{
"type": "Redundancy",
"value": 19.10
},
{
"type": "CC(1/2)",
"value": 0.431
}
]
}
]
}