Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "116f31b1e1d721a3689f379201afaaa2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 62.849,
"b": 69.666,
"c": 67.502,
"alpha": 90.00,
"beta": 106.91,
"gamma": 90.00
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.36,1.940],
"number_observations_unique": 41257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 9.670
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.36
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.940],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.087
},
{
"type": "I/SigI",
"value": 1.240
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [2.040,1.990],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "I/SigI",
"value": 1.510
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.100,2.040],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.685
},
{
"type": "I/SigI",
"value": 1.950
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [2.170,2.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "I/SigI",
"value": 2.590
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.240,2.170],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 3.110
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [2.320,2.240],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.410,2.320],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "I/SigI",
"value": 4.930
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.500,2.410],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "I/SigI",
"value": 5.660
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.620,2.500],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 6.710
},
{
"type": "Completeness",
"value": 99.400
}
]
},
{
"resolution_limits": [2.740,2.620],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 8.030
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [2.890,2.740],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 9.510
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.070,2.890],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [3.280,3.070],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 15.220
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [3.540,3.280],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 20.610
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.880,3.540],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 25.140
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [4.340,3.880],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 27.320
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [5.010,4.340],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 28.030
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [6.130,5.010],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 27.210
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [8.680,6.130],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 27.660
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [47.36,8.680],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 33.490
},
{
"type": "Completeness",
"value": 97.600
}
]
}
]
}