Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "189a50cdd71f4c229c3b8b41aee0943e",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 77.97,
"b": 77.97,
"c": 63.38,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.21,2.200],
"number_observations_unique": 21490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
"refln_shells": [
{
"resolution_limits": [2.26,2.20],
"number_observations": 2575,
"number_observations_unique": 1398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 86.30
},
{
"type": "Redundancy",
"value": 1.8
}
]
},
{
"resolution_limits": [2.32,2.26],
"number_observations": 3177,
"number_observations_unique": 1466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Completeness",
"value": 92.40
}
]
},
{
"resolution_limits": [2.39,2.32],
"number_observations": 3982,
"number_observations_unique": 1507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 98.60
}
]
},
{
"resolution_limits": [2.46,2.39],
"number_observations": 5178,
"number_observations_unique": 1487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [2.54,2.46],
"number_observations": 5507,
"number_observations_unique": 1440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.63,2.54],
"number_observations": 5402,
"number_observations_unique": 1411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.73,2.63],
"number_observations": 5092,
"number_observations_unique": 1328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 99.70
}
]
},
{
"resolution_limits": [2.84,2.73],
"number_observations": 4945,
"number_observations_unique": 1279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 12.6
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [2.97,2.84],
"number_observations": 4862,
"number_observations_unique": 1258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 16.1
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.11,2.97],
"number_observations": 4706,
"number_observations_unique": 1205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 18.8
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.28,3.11],
"number_observations": 4296,
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 24.6
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.48,3.28],
"number_observations": 4227,
"number_observations_unique": 1094,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 34.4
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [3.72,3.48],
"number_observations": 3945,
"number_observations_unique": 1012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 43.4
},
{
"type": "Completeness",
"value": 99.80
}
]
},
{
"resolution_limits": [4.02,3.72],
"number_observations": 3640,
"number_observations_unique": 932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 52.7
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [4.40,4.02],
"number_observations": 3288,
"number_observations_unique": 843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 62.2
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [4.92,4.40],
"number_observations": 3033,
"number_observations_unique": 781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 68.2
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [5.68,4.92],
"number_observations": 2632,
"number_observations_unique": 670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 63.6
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [6.96,5.68],
"number_observations": 2285,
"number_observations_unique": 580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 59.0
},
{
"type": "Completeness",
"value": 100.00
}
]
},
{
"resolution_limits": [9.84,6.96],
"number_observations": 1806,
"number_observations_unique": 460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 75.6
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [46.21,9.84],
"number_observations": 901,
"number_observations_unique": 233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 87.6
},
{
"type": "Completeness",
"value": 97.10
}
]
}
]
}