Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53172f656cb758b73b6cc3d667ebcfd2",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 76.87,
"b": 93.00,
"c": 61.40,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.500,1.950],
"number_observations_unique": 31561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 24.2
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 2343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [46.500,8.720],
"number_observations_unique": 427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 63.7
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}