Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "01e1c606a6c544f0d4e16fe14538d8f1",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 43.043,
"b": 43.043,
"c": 167.295,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97922,0.97905],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.002,1.500],
"number_observations_unique": 23849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 8.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.58,1.54],
"number_observations": 6679,
"number_observations_unique": 1601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.767
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 92.70
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [1.62,1.58],
"number_observations": 8414,
"number_observations_unique": 1636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.585
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 95.50
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [1.67,1.62],
"number_observations": 10108,
"number_observations_unique": 1605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 96.40
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [1.72,1.67],
"number_observations": 9841,
"number_observations_unique": 1586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 96.50
},
{
"type": "Redundancy",
"value": 6.20
}
]
},
{
"resolution_limits": [1.78,1.72],
"number_observations": 9529,
"number_observations_unique": 1507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 96.90
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [1.84,1.78],
"number_observations": 9410,
"number_observations_unique": 1499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 97.10
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [1.91,1.84],
"number_observations": 8927,
"number_observations_unique": 1434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 6.20
}
]
},
{
"resolution_limits": [1.99,1.91],
"number_observations": 8647,
"number_observations_unique": 1372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.13
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 97.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.08,1.99],
"number_observations": 8418,
"number_observations_unique": 1345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 97.40
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.18,2.08],
"number_observations": 10001,
"number_observations_unique": 1296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 5.6
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 7.70
}
]
},
{
"resolution_limits": [2.30,2.18],
"number_observations": 12188,
"number_observations_unique": 1249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 9.80
}
]
},
{
"resolution_limits": [2.43,2.30],
"number_observations": 14110,
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.70
}
]
},
{
"resolution_limits": [2.60,2.43],
"number_observations": 14809,
"number_observations_unique": 1119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 13.20
}
]
},
{
"resolution_limits": [2.81,2.60],
"number_observations": 14174,
"number_observations_unique": 1060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.40
}
]
},
{
"resolution_limits": [3.08,2.81],
"number_observations": 13447,
"number_observations_unique": 1008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.30
}
]
},
{
"resolution_limits": [3.44,3.08],
"number_observations": 12015,
"number_observations_unique": 890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.50
}
]
},
{
"resolution_limits": [3.98,3.44],
"number_observations": 10687,
"number_observations_unique": 808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.20
}
]
},
{
"resolution_limits": [4.87,3.98],
"number_observations": 9145,
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 13.00
}
]
},
{
"resolution_limits": [6.89,4.87],
"number_observations": 7113,
"number_observations_unique": 571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 11.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 12.50
}
]
},
{
"resolution_limits": [30.01,6.89],
"number_observations": 3719,
"number_observations_unique": 353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 98.30
},
{
"type": "Redundancy",
"value": 10.50
}
]
}
]
}