Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a27fdc1c31635662a56e41bc0b7e6a5b",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 48.38,
"b": 48.38,
"c": 157.36,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.260],
"number_observations_unique": 5712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 19.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.260],
"number_observations_unique": 274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.999
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.000
}
]
},
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.808
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.600
}
]
},
{
"resolution_limits": [2.390,2.340],
"number_observations_unique": 277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.811
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.000
}
]
},
{
"resolution_limits": [2.430,2.390],
"number_observations_unique": 277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.784
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.400
}
]
},
{
"resolution_limits": [2.490,2.430],
"number_observations_unique": 267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.655
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
}
]
},
{
"resolution_limits": [2.550,2.490],
"number_observations_unique": 283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
}
]
},
{
"resolution_limits": [2.610,2.550],
"number_observations_unique": 272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.600
}
]
},
{
"resolution_limits": [2.680,2.610],
"number_observations_unique": 282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.400
}
]
},
{
"resolution_limits": [2.760,2.680],
"number_observations_unique": 259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.500
}
]
},
{
"resolution_limits": [2.850,2.760],
"number_observations_unique": 292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.600
}
]
},
{
"resolution_limits": [2.950,2.850],
"number_observations_unique": 267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 20.600
}
]
},
{
"resolution_limits": [3.070,2.950],
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 20.000
}
]
},
{
"resolution_limits": [3.210,3.070],
"number_observations_unique": 281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.400
}
]
},
{
"resolution_limits": [3.380,3.210],
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.000
}
]
},
{
"resolution_limits": [3.590,3.380],
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.400
}
]
},
{
"resolution_limits": [3.860,3.590],
"number_observations_unique": 290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.300
}
]
},
{
"resolution_limits": [4.250,3.860],
"number_observations_unique": 297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.600
}
]
},
{
"resolution_limits": [4.870,4.250],
"number_observations_unique": 307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.700
}
]
},
{
"resolution_limits": [6.130,4.870],
"number_observations_unique": 314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.000
}
]
},
{
"resolution_limits": [50.000,6.130],
"number_observations_unique": 349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 14.200
}
]
}
]
}