Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35b103298a6c75bb7de1e84c5137af22",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 116.946,
"b": 116.946,
"c": 219.126,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.800],
"number_observations_unique": 23646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.900,2.850],
"number_observations_unique": 952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [3.020,2.960],
"number_observations_unique": 950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [3.080,3.020],
"number_observations_unique": 958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [3.150,3.080],
"number_observations_unique": 941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [3.230,3.150],
"number_observations_unique": 943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [3.320,3.230],
"number_observations_unique": 965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [3.420,3.320],
"number_observations_unique": 944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
{
"resolution_limits": [3.530,3.420],
"number_observations_unique": 972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [3.650,3.530],
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.800,3.650],
"number_observations_unique": 956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.970,3.800],
"number_observations_unique": 951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [4.180,3.970],
"number_observations_unique": 971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [4.440,4.180],
"number_observations_unique": 959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [4.790,4.440],
"number_observations_unique": 971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [5.270,4.790],
"number_observations_unique": 972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [6.030,5.270],
"number_observations_unique": 990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [7.590,6.030],
"number_observations_unique": 1003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [50.000,7.590],
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
}
]
}