Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8bfe05ee3d30681885d0da8f54dc418",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 96.72,
"b": 58.94,
"c": 62.14,
"alpha": 90.00,
"beta": 119.88,
"gamma": 90.00
},
"wavelengths": [0.97243],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [96.0295,1.030],
"number_observations_unique": 135999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 15.460
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.0
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.030],
"number_observations": 25530,
"number_observations_unique": 9760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 89.400
}
]
},
{
"resolution_limits": [1.090,1.060],
"number_observations": 28002,
"number_observations_unique": 9843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 2.710
},
{
"type": "Completeness",
"value": 91.500
}
]
},
{
"resolution_limits": [1.120,1.090],
"number_observations": 28212,
"number_observations_unique": 9727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 3.680
},
{
"type": "Completeness",
"value": 93.100
}
]
},
{
"resolution_limits": [1.150,1.120],
"number_observations": 27044,
"number_observations_unique": 9503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 4.710
},
{
"type": "Completeness",
"value": 93.900
}
]
},
{
"resolution_limits": [1.190,1.150],
"number_observations": 25194,
"number_observations_unique": 9321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 5.430
},
{
"type": "Completeness",
"value": 94.900
}
]
},
{
"resolution_limits": [1.230,1.190],
"number_observations": 28052,
"number_observations_unique": 9262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 6.920
},
{
"type": "Completeness",
"value": 96.700
}
]
},
{
"resolution_limits": [1.280,1.230],
"number_observations": 27045,
"number_observations_unique": 8918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 7.870
},
{
"type": "Completeness",
"value": 97.300
}
]
},
{
"resolution_limits": [1.330,1.280],
"number_observations": 26001,
"number_observations_unique": 8610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 9.460
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [1.390,1.330],
"number_observations": 24200,
"number_observations_unique": 8318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [1.460,1.390],
"number_observations": 23011,
"number_observations_unique": 7895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 13.470
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [1.540,1.460],
"number_observations": 23885,
"number_observations_unique": 7577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 17.270
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [1.630,1.540],
"number_observations": 22547,
"number_observations_unique": 7216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 20.890
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [1.740,1.630],
"number_observations": 20850,
"number_observations_unique": 6778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 24.410
},
{
"type": "Completeness",
"value": 98.600
}
]
},
{
"resolution_limits": [1.880,1.740],
"number_observations": 17838,
"number_observations_unique": 6230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 28.430
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [2.060,1.880],
"number_observations": 17390,
"number_observations_unique": 5750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 34.800
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [2.300,2.060],
"number_observations": 16787,
"number_observations_unique": 5262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 39.780
},
{
"type": "Completeness",
"value": 98.500
}
]
},
{
"resolution_limits": [2.660,2.300],
"number_observations": 14662,
"number_observations_unique": 4625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 42.200
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [3.260,2.660],
"number_observations": 11644,
"number_observations_unique": 3899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 43.810
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [4.610,3.260],
"number_observations": 8975,
"number_observations_unique": 2978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 46.970
},
{
"type": "Completeness",
"value": 95.400
}
]
},
{
"resolution_limits": [96.0295,4.610],
"number_observations": 5476,
"number_observations_unique": 1686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 49.100
},
{
"type": "Completeness",
"value": 95.700
}
]
}
]
}