Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ecc95193526ad6b6760f38f705579c91",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 63.64,
"b": 66.92,
"c": 100.15,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99992],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.116,1.630],
"number_observations": 347776,
"number_observations_unique": 52465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 27.480
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.629
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.630],
"number_observations_unique": 7093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "R(meas)",
"value": 0.595
},
{
"type": "I/SigI",
"value": 3.030
},
{
"type": "Completeness",
"value": 81.500
},
{
"type": "Redundancy",
"value": 3.263
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [1.850,1.730],
"number_observations_unique": 8143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.331
},
{
"type": "R(meas)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.055
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.000,1.850],
"number_observations_unique": 7651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 16.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.232
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.190,2.000],
"number_observations_unique": 6941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 25.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.276
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.450,2.190],
"number_observations_unique": 6348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 34.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.296
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.830,2.450],
"number_observations_unique": 5610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 41.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.276
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.460,2.830],
"number_observations_unique": 4742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 49.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.113
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.880,3.460],
"number_observations_unique": 3750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 58.670
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.842
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.116,4.880],
"number_observations_unique": 2187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 65.460
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.775
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}