Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59459082efbf24e2e83a146d75bd6ce3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 92.226,
"b": 94.597,
"c": 118.633,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100.000,3.100],
"number_observations_unique": 19376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.900
}
]
},
"refln_shells": [
{
"resolution_limits": [3.210,3.100],
"number_observations_unique": 1898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [3.340,3.210],
"number_observations_unique": 1894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [3.490,3.340],
"number_observations_unique": 1927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [3.680,3.490],
"number_observations_unique": 1885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [3.910,3.680],
"number_observations_unique": 1922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [4.210,3.910],
"number_observations_unique": 1921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
{
"resolution_limits": [4.630,4.210],
"number_observations_unique": 1924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [5.300,4.630],
"number_observations_unique": 1949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [6.680,5.300],
"number_observations_unique": 1978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [100.000,6.680],
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.200
}
]
}
]
}