Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c80537857728667470b0ef73ecfcf523",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.599,
"b": 135.599,
"c": 235.562,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99997],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.72,1.930],
"number_observations": 631711,
"number_observations_unique": 121432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.202
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 47418,
"number_observations_unique": 9058,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.259
},
{
"type": "R(meas)",
"value": 1.401
},
{
"type": "I/SigI",
"value": 1.340
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.235
},
{
"type": "CC(1/2)",
"value": 0.480
}
]
},
{
"resolution_limits": [2.030,1.980],
"number_observations": 44884,
"number_observations_unique": 8699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.910
},
{
"type": "R(meas)",
"value": 1.014
},
{
"type": "I/SigI",
"value": 1.840
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.160
},
{
"type": "CC(1/2)",
"value": 0.641
}
]
},
{
"resolution_limits": [2.090,2.030],
"number_observations": 41948,
"number_observations_unique": 8543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.676
},
{
"type": "R(meas)",
"value": 0.758
},
{
"type": "I/SigI",
"value": 2.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.910
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
},
{
"resolution_limits": [2.160,2.090],
"number_observations": 41985,
"number_observations_unique": 8259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.528
},
{
"type": "R(meas)",
"value": 0.589
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.084
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [2.230,2.160],
"number_observations": 43105,
"number_observations_unique": 8024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "R(meas)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 4.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.372
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [2.310,2.230],
"number_observations": 41579,
"number_observations_unique": 7807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.326
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [2.390,2.310],
"number_observations": 38709,
"number_observations_unique": 7383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 7.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.243
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.490,2.390],
"number_observations": 36426,
"number_observations_unique": 7203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.057
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.600,2.490],
"number_observations": 34598,
"number_observations_unique": 6936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 10.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.988
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.730,2.600],
"number_observations": 35299,
"number_observations_unique": 6578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 13.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.366
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.880,2.730],
"number_observations": 33946,
"number_observations_unique": 6301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 16.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.387
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.050,2.880],
"number_observations": 31528,
"number_observations_unique": 5917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 21.790
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.328
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.260,3.050],
"number_observations": 28276,
"number_observations_unique": 5611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 27.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.039
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.520,3.260],
"number_observations": 26777,
"number_observations_unique": 5145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 37.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.204
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.860,3.520],
"number_observations": 26156,
"number_observations_unique": 4785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 48.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.466
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.320,3.860],
"number_observations": 22917,
"number_observations_unique": 4313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 55.990
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.313
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.980,4.320],
"number_observations": 18918,
"number_observations_unique": 3825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 59.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.946
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.100,4.980],
"number_observations": 17276,
"number_observations_unique": 3217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 58.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.370
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.630,6.100],
"number_observations": 12861,
"number_observations_unique": 2467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 64.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.213
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [43.720,8.630],
"number_observations": 7105,
"number_observations_unique": 1361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 81.880
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.220
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}