Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0203d69679a93af88d3d010bddae25a",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 96.861,
"b": 96.861,
"c": 98.337,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.300],
"number_observations_unique": 12052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 11.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "Completeness",
"value": 85.500
},
{
"type": "Redundancy",
"value": 8.600
}
]
},
{
"resolution_limits": [2.380,2.340],
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.424
},
{
"type": "Completeness",
"value": 87.000
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [2.430,2.380],
"number_observations_unique": 553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.500
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 533,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 10.600
}
]
},
{
"resolution_limits": [2.660,2.590],
"number_observations_unique": 587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 10.900
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations_unique": 600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 11.200
}
]
},
{
"resolution_limits": [2.810,2.730],
"number_observations_unique": 610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [2.900,2.810],
"number_observations_unique": 613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [3.260,3.120],
"number_observations_unique": 622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [3.440,3.260],
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [3.930,3.650],
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
{
"resolution_limits": [4.330,3.930],
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [4.950,4.330],
"number_observations_unique": 647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [6.240,4.950],
"number_observations_unique": 652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [50.000,6.240],
"number_observations_unique": 708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 10.600
}
]
}
]
}