Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad32e5ef71e8611083a595fbf512915d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 234.37,
"b": 106.57,
"c": 93.41,
"alpha": 90.00,
"beta": 100.91,
"gamma": 90.00
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.070,2.150],
"number_observations": 465254,
"number_observations_unique": 120694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 16.860
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.855
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.150],
"number_observations": 33633,
"number_observations_unique": 8815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "R(meas)",
"value": 0.669
},
{
"type": "I/SigI",
"value": 2.370
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.815
},
{
"type": "CC(1/2)",
"value": 0.791
}
]
},
{
"resolution_limits": [2.270,2.210],
"number_observations": 33736,
"number_observations_unique": 8623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "R(meas)",
"value": 0.545
},
{
"type": "I/SigI",
"value": 3.040
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.912
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
},
{
"resolution_limits": [2.330,2.270],
"number_observations": 33019,
"number_observations_unique": 8437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "R(meas)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.914
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
},
{
"resolution_limits": [2.400,2.330],
"number_observations": 31819,
"number_observations_unique": 8134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.357
},
{
"type": "I/SigI",
"value": 4.520
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.912
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [2.480,2.400],
"number_observations": 31149,
"number_observations_unique": 7959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 5.570
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.914
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.570,2.480],
"number_observations": 29930,
"number_observations_unique": 7655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 6.920
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.910
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.670,2.570],
"number_observations": 29039,
"number_observations_unique": 7440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 8.710
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.903
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.780,2.670],
"number_observations": 27799,
"number_observations_unique": 7125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 10.310
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.902
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.900,2.780],
"number_observations": 26744,
"number_observations_unique": 6865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 13.030
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.896
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.040,2.900],
"number_observations": 25435,
"number_observations_unique": 6565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.874
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.210,3.040],
"number_observations": 24174,
"number_observations_unique": 6262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 20.730
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.860
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.400,3.210],
"number_observations": 22763,
"number_observations_unique": 5927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 25.340
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.841
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.630,3.400],
"number_observations": 21296,
"number_observations_unique": 5570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 30.680
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.823
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.930,3.630],
"number_observations": 19746,
"number_observations_unique": 5216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 35.070
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.786
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.300,3.930],
"number_observations": 18019,
"number_observations_unique": 4780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 39.290
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.770
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.810,4.300],
"number_observations": 16258,
"number_observations_unique": 4314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 42.850
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.769
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.550,4.810],
"number_observations": 14477,
"number_observations_unique": 3860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 42.120
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.751
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.800,5.550],
"number_observations": 12172,
"number_observations_unique": 3250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 41.740
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.745
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.620,6.800],
"number_observations": 9353,
"number_observations_unique": 2528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 46.020
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [36.070,9.620],
"number_observations": 4693,
"number_observations_unique": 1369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 47.550
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.428
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}