Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8b8c724b13c1dd8143546374d56686a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.92,
"b": 54.55,
"c": 56.28,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.170,1.130],
"number_observations_unique": 47582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.131],
"number_observations": 5659,
"number_observations_unique": 2136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "R(meas)",
"value": 0.513
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 87.500
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.776
}
]
},
{
"resolution_limits": [39.170,3.069],
"number_observations": 8009,
"number_observations_unique": 2533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}