Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ae360369abe7513c92c915fca08fda6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.891,
"b": 53.664,
"c": 81.611,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.84,1.040],
"number_observations": 1445207,
"number_observations_unique": 105191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 11.570
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.74
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.070,1.040],
"number_observations": 103318,
"number_observations_unique": 7652,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.642
},
{
"type": "R(meas)",
"value": 2.747
},
{
"type": "I/SigI",
"value": 0.990
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.481
}
]
},
{
"resolution_limits": [1.100,1.070],
"number_observations": 99380,
"number_observations_unique": 7518,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.006
},
{
"type": "R(meas)",
"value": 2.087
},
{
"type": "I/SigI",
"value": 1.350
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.610
}
]
},
{
"resolution_limits": [1.130,1.100],
"number_observations": 95360,
"number_observations_unique": 7292,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.430
},
{
"type": "R(meas)",
"value": 1.489
},
{
"type": "I/SigI",
"value": 1.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.742
}
]
},
{
"resolution_limits": [1.160,1.130],
"number_observations": 100179,
"number_observations_unique": 7109,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.154
},
{
"type": "R(meas)",
"value": 1.197
},
{
"type": "I/SigI",
"value": 2.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [1.200,1.160],
"number_observations": 96380,
"number_observations_unique": 6860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.981
},
{
"type": "R(meas)",
"value": 1.018
},
{
"type": "I/SigI",
"value": 2.940
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [1.240,1.200],
"number_observations": 92447,
"number_observations_unique": 6680,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.876
},
{
"type": "R(meas)",
"value": 0.910
},
{
"type": "I/SigI",
"value": 3.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [1.290,1.240],
"number_observations": 84315,
"number_observations_unique": 6421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.756
},
{
"type": "R(meas)",
"value": 0.787
},
{
"type": "I/SigI",
"value": 3.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [1.340,1.290],
"number_observations": 86488,
"number_observations_unique": 6217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.589
},
{
"type": "R(meas)",
"value": 0.611
},
{
"type": "I/SigI",
"value": 5.040
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [1.400,1.340],
"number_observations": 84724,
"number_observations_unique": 5923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.497
},
{
"type": "R(meas)",
"value": 0.515
},
{
"type": "I/SigI",
"value": 6.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.470,1.400],
"number_observations": 80988,
"number_observations_unique": 5706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.394
},
{
"type": "R(meas)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 7.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.550,1.470],
"number_observations": 76277,
"number_observations_unique": 5446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 10.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.640,1.550],
"number_observations": 67174,
"number_observations_unique": 5136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 12.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.760,1.640],
"number_observations": 71187,
"number_observations_unique": 4837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 17.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.900,1.760],
"number_observations": 65879,
"number_observations_unique": 4535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.080,1.900],
"number_observations": 59023,
"number_observations_unique": 4206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 28.360
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.330,2.080],
"number_observations": 47471,
"number_observations_unique": 3785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 31.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.690,2.330],
"number_observations": 48218,
"number_observations_unique": 3373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 39.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.290,2.690],
"number_observations": 40507,
"number_observations_unique": 2886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 45.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.650,3.290],
"number_observations": 27784,
"number_observations_unique": 2269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 49.360
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.84,4.650],
"number_observations": 18108,
"number_observations_unique": 1340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 51.820
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}