Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54d59223b6c9f787151c499e2ed4ed51",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 101.377,
"b": 54.408,
"c": 60.836,
"alpha": 90.00,
"beta": 103.77,
"gamma": 90.00
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.300],
"number_observations_unique": 78305,
"quality_factors": [
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.300],
"number_observations_unique": 5240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.610
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [1.360,1.330],
"number_observations_unique": 5174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [1.400,1.360],
"number_observations_unique": 5248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.440,1.400],
"number_observations_unique": 5233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.382
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.490,1.440],
"number_observations_unique": 5231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.540,1.490],
"number_observations_unique": 5243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [1.600,1.540],
"number_observations_unique": 5279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.680,1.600],
"number_observations_unique": 5206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.760,1.680],
"number_observations_unique": 5271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [1.870,1.760],
"number_observations_unique": 5286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.020,1.870],
"number_observations_unique": 5250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.220,2.020],
"number_observations_unique": 5270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
}
]
},
{
"resolution_limits": [2.540,2.220],
"number_observations_unique": 5262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [3.210,2.540],
"number_observations_unique": 5267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [50.000,3.210],
"number_observations_unique": 4845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 6.600
}
]
}
]
}