Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40548217e236d7c56cb5107b08dd73aa",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 79.230,
"b": 96.546,
"c": 97.545,
"alpha": 90.00,
"beta": 106.67,
"gamma": 90.00
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [93.440,1.900],
"number_observations_unique": 109274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.93,1.90],
"number_observations_unique": 5132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "Completeness",
"value": 93.20
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [1.97,1.93],
"number_observations_unique": 5280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.469
},
{
"type": "Completeness",
"value": 96.10
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.01,1.97],
"number_observations_unique": 5351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.412
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.05,2.01],
"number_observations_unique": 5478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.09,2.05],
"number_observations_unique": 5439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.14,2.09],
"number_observations_unique": 5487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.19,2.14],
"number_observations_unique": 5443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.25,2.19],
"number_observations_unique": 5488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.32,2.25],
"number_observations_unique": 5499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.39,2.32],
"number_observations_unique": 5484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.48,2.39],
"number_observations_unique": 5475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.58,2.48],
"number_observations_unique": 5471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.70,2.58],
"number_observations_unique": 5486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.84,2.70],
"number_observations_unique": 5534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.02,2.84],
"number_observations_unique": 5516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.25,3.02],
"number_observations_unique": 5516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.58,3.25],
"number_observations_unique": 5524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.09,3.58],
"number_observations_unique": 5526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [5.15,4.09],
"number_observations_unique": 5564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [40.00,5.15],
"number_observations_unique": 5581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 3.70
}
]
}
]
}