Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "56e1439b7b023eb25fd23eb68d9e0d4e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.70,
"b": 67.23,
"c": 81.63,
"alpha": 90.0,
"beta": 100.5,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.942,2.600],
"number_observations": 102823,
"number_observations_unique": 26558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 12876,
"number_observations_unique": 3242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.715
},
{
"type": "R(pim)",
"value": 0.403
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [80.260,9.010],
"number_observations": 2353,
"number_observations_unique": 626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 25.800
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}