Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "68f613a43388d41c4c15a472eafb79e6",
"space_group_name": "I 21 21 21",
"unit_cell": {
"a": 44.669,
"b": 60.055,
"c": 148.349,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.772,2.590],
"number_observations": 84923,
"number_observations_unique": 11976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 13.950
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.091
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.750,2.590],
"number_observations": 13854,
"number_observations_unique": 1925,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.002
},
{
"type": "R(meas)",
"value": 1.080
},
{
"type": "I/SigI",
"value": 2.350
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.197
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [2.940,2.750],
"number_observations": 12923,
"number_observations_unique": 1787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.674
},
{
"type": "R(meas)",
"value": 0.726
},
{
"type": "I/SigI",
"value": 3.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.232
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [3.170,2.940],
"number_observations": 11757,
"number_observations_unique": 1708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "R(meas)",
"value": 0.480
},
{
"type": "I/SigI",
"value": 6.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.883
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.470,3.170],
"number_observations": 11113,
"number_observations_unique": 1564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 11.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.105
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.880,3.470],
"number_observations": 10162,
"number_observations_unique": 1389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 17.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.316
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.470,3.880],
"number_observations": 8707,
"number_observations_unique": 1255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 24.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.938
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.460,4.470],
"number_observations": 7301,
"number_observations_unique": 1063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 28.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.868
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [7.660,5.460],
"number_observations": 5926,
"number_observations_unique": 814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 29.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.280
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [42.772,7.660],
"number_observations": 3164,
"number_observations_unique": 469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 39.320
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.746
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}