Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "95cdc910cd6d37d6ba1532dd4a441ac2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 158.202,
"b": 87.962,
"c": 68.043,
"alpha": 90.00,
"beta": 97.43,
"gamma": 90.00
},
"wavelengths": [1.03800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.0,1.94],
"number_observations_unique": 69498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.94],
"number_observations_unique": 3476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.617
},
{
"type": "Completeness",
"value": 98.70
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.01,1.97],
"number_observations_unique": 3469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.05,2.01],
"number_observations_unique": 3483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.09,2.05],
"number_observations_unique": 3400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "Completeness",
"value": 96.90
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.14,2.09],
"number_observations_unique": 3431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [2.18,2.14],
"number_observations_unique": 3514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.24,2.18],
"number_observations_unique": 3517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.30,2.24],
"number_observations_unique": 3389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "Completeness",
"value": 96.90
},
{
"type": "Redundancy",
"value": 3.40
}
]
},
{
"resolution_limits": [2.37,2.30],
"number_observations_unique": 3473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.44,2.37],
"number_observations_unique": 3524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.53,2.44],
"number_observations_unique": 3511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.63,2.53],
"number_observations_unique": 3491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.75,2.63],
"number_observations_unique": 3504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.90,2.75],
"number_observations_unique": 3480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.08,2.90],
"number_observations_unique": 3506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.31,3.08],
"number_observations_unique": 3517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.64,3.31],
"number_observations_unique": 3515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [4.17,3.64],
"number_observations_unique": 3488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 98.80
},
{
"type": "Redundancy",
"value": 3.50
}
]
},
{
"resolution_limits": [5.24,4.17],
"number_observations_unique": 3501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [20.00,5.24],
"number_observations_unique": 3309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 91.60
},
{
"type": "Redundancy",
"value": 3.50
}
]
}
]
}