{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b186935eb295749635d926104e57a63",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 69.399,
"b": 210.235,
"c": 499.861,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97951],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.200],
"number_observations": 1844250,
"number_observations_unique": 60636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 30.400
}
]
},
"refln_shells": [
{
"resolution_limits": [3.260,3.200],
"number_observations_unique": 2738,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.003
},
{
"type": "R(meas)",
"value": 1.040
},
{
"type": "R(pim)",
"value": 0.244
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.744
}
]
},
{
"resolution_limits": [3.310,3.260],
"number_observations_unique": 2889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.974
},
{
"type": "R(meas)",
"value": 1.005
},
{
"type": "R(pim)",
"value": 0.225
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 15.500
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [3.380,3.310],
"number_observations_unique": 2902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.906
},
{
"type": "R(meas)",
"value": 0.931
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 18.000
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [3.450,3.380],
"number_observations_unique": 2983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.832
},
{
"type": "R(meas)",
"value": 0.852
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [3.520,3.450],
"number_observations_unique": 2938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.796
},
{
"type": "R(meas)",
"value": 0.813
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 22.700
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [3.600,3.520],
"number_observations_unique": 2985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "R(meas)",
"value": 0.654
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 24.800
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.690,3.600],
"number_observations_unique": 3052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.603
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 26.600
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.790,3.690],
"number_observations_unique": 3011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.526
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 28.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.910,3.790],
"number_observations_unique": 3054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.412
},
{
"type": "R(meas)",
"value": 0.419
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.030,3.910],
"number_observations_unique": 2999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 29.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.180,4.030],
"number_observations_unique": 3041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 33.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.340,4.180],
"number_observations_unique": 3115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.303
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 35.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.540,4.340],
"number_observations_unique": 2999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 37.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.780,4.540],
"number_observations_unique": 3088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 38.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.080,4.780],
"number_observations_unique": 3066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 38.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.470,5.080],
"number_observations_unique": 3078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 36.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.020,5.470],
"number_observations_unique": 3089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 41.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.890,6.020],
"number_observations_unique": 3141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 40.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.670,6.890],
"number_observations_unique": 3161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 37.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.000,8.670],
"number_observations_unique": 3307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 37.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}
|