Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a73b92358e056fad447767bae23446c8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 121.193,
"b": 209.991,
"c": 325.009,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97935],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.900],
"number_observations_unique": 91636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 9061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.796
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 9107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [3.270,3.120],
"number_observations_unique": 9090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [3.440,3.270],
"number_observations_unique": 9074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 9126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [3.940,3.650],
"number_observations_unique": 9126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
}
]
},
{
"resolution_limits": [4.330,3.940],
"number_observations_unique": 9176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
{
"resolution_limits": [4.960,4.330],
"number_observations_unique": 9160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
}
]
},
{
"resolution_limits": [6.240,4.960],
"number_observations_unique": 9256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
}
]
},
{
"resolution_limits": [50.000,6.240],
"number_observations_unique": 9460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.300
}
]
}
]
}