Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9fde79e217381bad8d9a25b2bcdb4a2d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 59.935,
"b": 96.843,
"c": 98.904,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.260,2.850],
"number_observations": 110961,
"number_observations_unique": 14095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.850],
"number_observations": 15299,
"number_observations_unique": 2011,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.003
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [38.260,9.010],
"number_observations": 3504,
"number_observations_unique": 515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}