Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3f7d6797a7767b4aad3be3e50095045",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 128.009,
"b": 140.782,
"c": 168.189,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.670],
"number_observations_unique": 172718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations_unique": 8508,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 8535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [1.760,1.730],
"number_observations_unique": 8605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 8527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [1.840,1.800],
"number_observations_unique": 8587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [1.880,1.840],
"number_observations_unique": 8555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [1.930,1.880],
"number_observations_unique": 8597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [1.980,1.930],
"number_observations_unique": 8627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.040,1.980],
"number_observations_unique": 8608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.100,2.040],
"number_observations_unique": 8619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.180,2.100],
"number_observations_unique": 8618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.270,2.180],
"number_observations_unique": 8676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.370,2.270],
"number_observations_unique": 8623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.490,2.370],
"number_observations_unique": 8699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.650,2.490],
"number_observations_unique": 8691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [2.860,2.650],
"number_observations_unique": 8684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.140,2.860],
"number_observations_unique": 8727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.800
}
]
},
{
"resolution_limits": [3.600,3.140],
"number_observations_unique": 8714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [4.530,3.600],
"number_observations_unique": 8683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [50.000,4.530],
"number_observations_unique": 8835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.400
}
]
}
]
}