Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "41a6500d35874085fe63cb2f89991491",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.378,
"b": 46.159,
"c": 92.107,
"alpha": 90.00,
"beta": 92.56,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,1.350],
"number_observations": 793282,
"number_observations_unique": 100009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations_unique": 4951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.723
},
{
"type": "R(meas)",
"value": 0.794
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.761
}
]
},
{
"resolution_limits": [1.400,1.370],
"number_observations_unique": 5000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.699
},
{
"type": "R(meas)",
"value": 0.756
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.838
}
]
},
{
"resolution_limits": [1.430,1.400],
"number_observations_unique": 4971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.631
},
{
"type": "R(meas)",
"value": 0.678
},
{
"type": "R(pim)",
"value": 0.248
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [1.450,1.430],
"number_observations_unique": 4936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.589
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [1.490,1.450],
"number_observations_unique": 5005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "R(meas)",
"value": 0.505
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [1.520,1.490],
"number_observations_unique": 4932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [1.560,1.520],
"number_observations_unique": 5016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [1.600,1.560],
"number_observations_unique": 4951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(meas)",
"value": 0.290
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.650,1.600],
"number_observations_unique": 5024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [1.700,1.650],
"number_observations_unique": 4972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.760,1.700],
"number_observations_unique": 4975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [1.830,1.760],
"number_observations_unique": 5003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.920,1.830],
"number_observations_unique": 4989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.020,1.920],
"number_observations_unique": 5002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.140,2.020],
"number_observations_unique": 4999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.310,2.140],
"number_observations_unique": 5009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.540,2.310],
"number_observations_unique": 5028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.910,2.540],
"number_observations_unique": 5035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.660,2.910],
"number_observations_unique": 5068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [40.000,3.660],
"number_observations_unique": 5143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}