Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "08ada3b9c7100ff3d85dab4da9cda4b3",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 138.146,
"b": 138.146,
"c": 104.520,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.537,2.660],
"number_observations_unique": 33394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 17.960
},
{
"type": "Completeness",
"value": 99.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.730,2.660],
"number_observations": 18207,
"number_observations_unique": 2417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.800,2.730],
"number_observations": 18170,
"number_observations_unique": 2407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.890,2.800],
"number_observations": 17599,
"number_observations_unique": 2335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.970,2.890],
"number_observations": 16671,
"number_observations_unique": 2216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.070,2.970],
"number_observations": 16760,
"number_observations_unique": 2224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "I/SigI",
"value": 6.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.180,3.070],
"number_observations": 15709,
"number_observations_unique": 2092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.300,3.180],
"number_observations": 15265,
"number_observations_unique": 2033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 11.7
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.430,3.300],
"number_observations": 14821,
"number_observations_unique": 1985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 14.6
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.590,3.430],
"number_observations": 13891,
"number_observations_unique": 1876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 18.6
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.760,3.590],
"number_observations": 13397,
"number_observations_unique": 1824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 21.2
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.970,3.760],
"number_observations": 12558,
"number_observations_unique": 1718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 23.4
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.210,3.970],
"number_observations": 11877,
"number_observations_unique": 1642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 27.5
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.500,4.210],
"number_observations": 10812,
"number_observations_unique": 1532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 32.5
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [4.860,4.500],
"number_observations": 10005,
"number_observations_unique": 1430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 35.9
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.320,4.860],
"number_observations": 9355,
"number_observations_unique": 1333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 35.8
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [5.950,5.320],
"number_observations": 8662,
"number_observations_unique": 1216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 34.4
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [6.870,5.950],
"number_observations": 7674,
"number_observations_unique": 1073,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 35.4
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [8.410,6.870],
"number_observations": 6451,
"number_observations_unique": 914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 39.5
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [11.900,8.410],
"number_observations": 4948,
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 43.8
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [34.537,11.9],
"number_observations": 2463,
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 42.8
},
{
"type": "Completeness",
"value": 93.400
}
]
}
]
}