Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d1a9870ee0ab518ca3ba08c391d2c03",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 129.714,
"b": 129.714,
"c": 129.714,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.950,1.10],
"number_observations_unique": 38414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 40.1
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 28.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.12,1.10],
"number_observations_unique": 1887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.91
},
{
"type": "Completeness",
"value": 99.4
}
]
},
{
"resolution_limits": [1.14,1.12],
"number_observations_unique": 1875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.763
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [1.16,1.14],
"number_observations_unique": 1876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.699
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [1.18,1.16],
"number_observations_unique": 1868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.21,1.18],
"number_observations_unique": 1881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.24,1.21],
"number_observations_unique": 1901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.27,1.24],
"number_observations_unique": 1893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.30,1.27],
"number_observations_unique": 1894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.34,1.30],
"number_observations_unique": 1869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.39,1.34],
"number_observations_unique": 1905,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.44,1.39],
"number_observations_unique": 1908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.49,1.44],
"number_observations_unique": 1890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.56,1.49],
"number_observations_unique": 1921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.64,1.56],
"number_observations_unique": 1915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.75,1.64],
"number_observations_unique": 1923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [1.88,1.75],
"number_observations_unique": 1948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.07,1.88],
"number_observations_unique": 1930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.37,2.07],
"number_observations_unique": 1975,
"quality_factors": [
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.99,2.37],
"number_observations_unique": 2005,
"quality_factors": [
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [40.00,2.99],
"number_observations_unique": 2150,
"quality_factors": [
{
"type": "Completeness",
"value": 99.6
}
]
}
]
}