Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b649a5a88fcbfc1452276f4d51f2bb28",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 54.179,
"b": 54.179,
"c": 112.916,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.71070],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [13.950,2.800],
"number_observations_unique": 4969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 28.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.395
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 28.400
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [13.950,8.850],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 76.500
},
{
"type": "Redundancy",
"value": 18.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}