Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "333412bfbd84319d3a0261729a5db7e0",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 87.163,
"b": 87.163,
"c": 294.404,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.98],
"number_observations_unique": 80965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations_unique": 3965,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.574
},
{
"type": "R(meas)",
"value": 2.673
},
{
"type": "R(pim)",
"value": 0.712
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.900
},
{
"type": "CC(1/2)",
"value": 0.603
}
]
},
{
"resolution_limits": [2.050,2.010],
"number_observations_unique": 3995,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.231
},
{
"type": "R(meas)",
"value": 2.313
},
{
"type": "R(pim)",
"value": 0.606
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.400
},
{
"type": "CC(1/2)",
"value": 0.665
}
]
},
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 3969,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.983
},
{
"type": "R(meas)",
"value": 2.051
},
{
"type": "R(pim)",
"value": 0.517
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.700
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [2.130,2.090],
"number_observations_unique": 4004,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.775
},
{
"type": "R(meas)",
"value": 1.829
},
{
"type": "R(pim)",
"value": 0.438
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [2.180,2.130],
"number_observations_unique": 3964,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.482
},
{
"type": "R(meas)",
"value": 1.526
},
{
"type": "R(pim)",
"value": 0.357
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [2.230,2.180],
"number_observations_unique": 3971,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.333
},
{
"type": "R(meas)",
"value": 1.371
},
{
"type": "R(pim)",
"value": 0.318
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.700
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [2.290,2.230],
"number_observations_unique": 4008,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.042
},
{
"type": "R(meas)",
"value": 1.072
},
{
"type": "R(pim)",
"value": 0.248
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.700
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [2.350,2.290],
"number_observations_unique": 3969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "R(meas)",
"value": 0.883
},
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.420,2.350],
"number_observations_unique": 4000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.726
},
{
"type": "R(meas)",
"value": 0.747
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.200
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 4017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "R(meas)",
"value": 0.615
},
{
"type": "R(pim)",
"value": 0.148
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.200
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.580,2.490],
"number_observations_unique": 4038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.515
},
{
"type": "R(meas)",
"value": 0.530
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.690,2.580],
"number_observations_unique": 4001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "R(meas)",
"value": 0.428
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.810,2.690],
"number_observations_unique": 4032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.960,2.810],
"number_observations_unique": 4033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.287
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.140,2.960],
"number_observations_unique": 4060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.222
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.390,3.140],
"number_observations_unique": 4066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 4087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.260,3.730],
"number_observations_unique": 4138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.370,4.260],
"number_observations_unique": 4189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,5.370],
"number_observations_unique": 4459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 16.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}