Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cfe3642351ba0907b7cb1da342be1bd4",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.405,
"b": 135.405,
"c": 234.686,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.55,2.400],
"number_observations": 216076,
"number_observations_unique": 62276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 9.320
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.470
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.460,2.400],
"number_observations": 14069,
"number_observations_unique": 4661,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.134
},
{
"type": "R(meas)",
"value": 1.367
},
{
"type": "I/SigI",
"value": 1.060
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.018
},
{
"type": "CC(1/2)",
"value": 0.299
}
]
},
{
"resolution_limits": [2.530,2.460],
"number_observations": 13525,
"number_observations_unique": 4425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.930
},
{
"type": "R(meas)",
"value": 1.120
},
{
"type": "I/SigI",
"value": 1.290
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.056
},
{
"type": "CC(1/2)",
"value": 0.382
}
]
},
{
"resolution_limits": [2.600,2.530],
"number_observations": 13602,
"number_observations_unique": 4318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.716
},
{
"type": "R(meas)",
"value": 0.858
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.150
},
{
"type": "CC(1/2)",
"value": 0.501
}
]
},
{
"resolution_limits": [2.680,2.600],
"number_observations": 13407,
"number_observations_unique": 4199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.655
},
{
"type": "R(meas)",
"value": 0.781
},
{
"type": "I/SigI",
"value": 2.150
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.193
},
{
"type": "CC(1/2)",
"value": 0.517
}
]
},
{
"resolution_limits": [2.770,2.680],
"number_observations": 13432,
"number_observations_unique": 4112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(meas)",
"value": 0.686
},
{
"type": "I/SigI",
"value": 2.560
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.267
},
{
"type": "CC(1/2)",
"value": 0.503
}
]
},
{
"resolution_limits": [2.870,2.770],
"number_observations": 13314,
"number_observations_unique": 3933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 3.230
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.385
},
{
"type": "CC(1/2)",
"value": 0.754
}
]
},
{
"resolution_limits": [2.980,2.870],
"number_observations": 13190,
"number_observations_unique": 3842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "R(meas)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 4.160
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.433
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [3.100,2.980],
"number_observations": 13113,
"number_observations_unique": 3715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.302
},
{
"type": "I/SigI",
"value": 5.350
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.530
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [3.240,3.100],
"number_observations": 12803,
"number_observations_unique": 3568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 7.040
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.588
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [3.390,3.240],
"number_observations": 12248,
"number_observations_unique": 3369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 9.350
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.636
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [3.580,3.390],
"number_observations": 11933,
"number_observations_unique": 3244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 12.270
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.678
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.790,3.580],
"number_observations": 11452,
"number_observations_unique": 3075,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 14.820
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.724
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.060,3.790],
"number_observations": 10632,
"number_observations_unique": 2821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.769
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.380,4.060],
"number_observations": 10229,
"number_observations_unique": 2682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 20.280
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.814
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.800,4.380],
"number_observations": 9427,
"number_observations_unique": 2482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 22.380
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.798
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.370,4.800],
"number_observations": 8473,
"number_observations_unique": 2216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 22.730
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.824
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [6.200,5.370],
"number_observations": 7595,
"number_observations_unique": 1985,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 21.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.826
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [7.590,6.200],
"number_observations": 6340,
"number_observations_unique": 1661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 24.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.817
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [10.730,7.590],
"number_observations": 4739,
"number_observations_unique": 1269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 29.210
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.734
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [43.550,10.730],
"number_observations": 2553,
"number_observations_unique": 699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 30.150
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.652
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}