Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd6a5c72199a16f0f14fa25d7da889f6",
"space_group_name": "P 32",
"unit_cell": {
"a": 68.167,
"b": 68.167,
"c": 53.235,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.150],
"number_observations_unique": 3637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 73.200
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
"refln_shells": [
{
"resolution_limits": [3.200,3.150],
"number_observations_unique": 93,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "Completeness",
"value": 36.300
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [3.260,3.200],
"number_observations_unique": 121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 45.300
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.330,3.260],
"number_observations_unique": 94,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.325
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "Completeness",
"value": 43.700
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.390,3.330],
"number_observations_unique": 123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "Completeness",
"value": 47.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.470,3.390],
"number_observations_unique": 137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "Completeness",
"value": 56.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [3.550,3.470],
"number_observations_unique": 144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "R(pim)",
"value": 0.135
},
{
"type": "Completeness",
"value": 59.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [3.640,3.550],
"number_observations_unique": 144,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "R(meas)",
"value": 0.449
},
{
"type": "R(pim)",
"value": 0.167
},
{
"type": "Completeness",
"value": 55.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [3.730,3.640],
"number_observations_unique": 149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "R(meas)",
"value": 0.543
},
{
"type": "R(pim)",
"value": 0.202
},
{
"type": "Completeness",
"value": 64.200
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [3.840,3.730],
"number_observations_unique": 182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.485
},
{
"type": "R(meas)",
"value": 0.521
},
{
"type": "R(pim)",
"value": 0.185
},
{
"type": "Completeness",
"value": 66.700
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [3.970,3.840],
"number_observations_unique": 169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.607
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "Completeness",
"value": 68.100
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [4.110,3.970],
"number_observations_unique": 176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.490
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "Completeness",
"value": 75.200
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [4.270,4.110],
"number_observations_unique": 197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "R(meas)",
"value": 0.481
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "Completeness",
"value": 78.500
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [4.470,4.270],
"number_observations_unique": 222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "R(meas)",
"value": 0.500
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [4.700,4.470],
"number_observations_unique": 220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "R(meas)",
"value": 0.410
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [5.000,4.700],
"number_observations_unique": 234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [5.380,5.000],
"number_observations_unique": 241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [5.930,5.380],
"number_observations_unique": 243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [6.780,5.930],
"number_observations_unique": 260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [8.540,6.780],
"number_observations_unique": 242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,8.540],
"number_observations_unique": 246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}