Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8eb62313283ad4340d1d840d2950818b",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 58.626,
"b": 58.626,
"c": 231.814,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.0970],
"number_observations_unique": 14606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 27.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 15.900
}
]
},
{
"resolution_limits": [2.180,2.140],
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.734
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.500
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 19.200
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "Completeness",
"value": 85.500
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 16.500
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.600
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 25.700
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.500
}
]
},
{
"resolution_limits": [2.560,2.490],
"number_observations_unique": 727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 30.300
}
]
},
{
"resolution_limits": [2.650,2.560],
"number_observations_unique": 719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 32.600
}
]
},
{
"resolution_limits": [2.740,2.650],
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 34.100
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 34.300
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 34.300
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 34.400
}
]
},
{
"resolution_limits": [3.330,3.140],
"number_observations_unique": 745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 33.800
}
]
},
{
"resolution_limits": [3.590,3.330],
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 31.900
}
]
},
{
"resolution_limits": [3.950,3.590],
"number_observations_unique": 738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 22.300
}
]
},
{
"resolution_limits": [4.520,3.950],
"number_observations_unique": 770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 32.400
}
]
},
{
"resolution_limits": [5.700,4.520],
"number_observations_unique": 795,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 31.900
}
]
},
{
"resolution_limits": [50.000,5.700],
"number_observations_unique": 897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 28.500
}
]
}
]
}