Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dfefa75dbf3845f9e54ed78fe6790814",
"space_group_name": "P 32",
"unit_cell": {
"a": 94.43,
"b": 94.43,
"c": 88.03,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.900],
"number_observations_unique": 19411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 1957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 4.46
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 1916,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "I/SigI",
"value": 6.93
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [3.270,3.120],
"number_observations_unique": 1972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 9.76
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.440,3.270],
"number_observations_unique": 1910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 13.65
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 1955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 17.53
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.930,3.650],
"number_observations_unique": 1923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 20.67
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [4.330,3.930],
"number_observations_unique": 1965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 24.46
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [4.950,4.330],
"number_observations_unique": 1942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 25.89
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [6.230,4.950],
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 27.10
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [30.000,6.230],
"number_observations_unique": 1941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 35.15
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
}
]
}