Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5cc1013b50a1b0fcaac81e9af27140f6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.838,
"b": 53.206,
"c": 87.167,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97711],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.06],
"number_observations_unique": 13524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.06],
"number_observations_unique": 657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "I/SigI",
"value": 9.2
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [2.180,2.140],
"number_observations_unique": 662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 13.5
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [2.220,2.180],
"number_observations_unique": 653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 18.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 20.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 662,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 23
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
{
"resolution_limits": [2.560,2.490],
"number_observations_unique": 682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 23.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [2.650,2.560],
"number_observations_unique": 652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 23.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [2.740,2.650],
"number_observations_unique": 681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 25.3
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations_unique": 669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 27.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations_unique": 667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 31.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations_unique": 677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 35.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [3.330,3.140],
"number_observations_unique": 683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 40
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [3.590,3.330],
"number_observations_unique": 688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 44.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [3.950,3.590],
"number_observations_unique": 680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 50.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
}
]
},
{
"resolution_limits": [4.520,3.950],
"number_observations_unique": 699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 54.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [5.700,4.520],
"number_observations_unique": 696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 55.7
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
}
]
},
{
"resolution_limits": [50.000,5.700],
"number_observations_unique": 764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 51.2
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.600
}
]
}
]
}