Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4d17bb0d07443adf44ab8e8f2bee739",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 104.77,
"b": 159.73,
"c": 179.63,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.710,2.250],
"number_observations": 953676,
"number_observations_unique": 140823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.772
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.250],
"number_observations": 70671,
"number_observations_unique": 10309,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.195
},
{
"type": "R(meas)",
"value": 2.377
},
{
"type": "I/SigI",
"value": 0.920
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.855
},
{
"type": "CC(1/2)",
"value": 0.430
}
]
},
{
"resolution_limits": [2.380,2.310],
"number_observations": 71686,
"number_observations_unique": 10132,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.462
},
{
"type": "R(meas)",
"value": 1.579
},
{
"type": "I/SigI",
"value": 1.380
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.075
},
{
"type": "CC(1/2)",
"value": 0.597
}
]
},
{
"resolution_limits": [2.450,2.380],
"number_observations": 69105,
"number_observations_unique": 9864,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.098
},
{
"type": "R(meas)",
"value": 1.187
},
{
"type": "I/SigI",
"value": 1.820
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.006
},
{
"type": "CC(1/2)",
"value": 0.714
}
]
},
{
"resolution_limits": [2.520,2.450],
"number_observations": 66302,
"number_observations_unique": 9586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.875
},
{
"type": "R(meas)",
"value": 0.947
},
{
"type": "I/SigI",
"value": 2.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.917
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [2.600,2.520],
"number_observations": 63075,
"number_observations_unique": 9310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.682
},
{
"type": "R(meas)",
"value": 0.739
},
{
"type": "I/SigI",
"value": 2.840
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.775
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [2.690,2.600],
"number_observations": 58421,
"number_observations_unique": 9019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.603
},
{
"type": "I/SigI",
"value": 3.410
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.478
},
{
"type": "CC(1/2)",
"value": 0.892
}
]
},
{
"resolution_limits": [2.800,2.690],
"number_observations": 58224,
"number_observations_unique": 8698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "I/SigI",
"value": 4.370
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.694
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.910,2.800],
"number_observations": 59674,
"number_observations_unique": 8422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 5.910
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.085
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.040,2.910],
"number_observations": 56277,
"number_observations_unique": 8023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "I/SigI",
"value": 7.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.014
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.190,3.040],
"number_observations": 53653,
"number_observations_unique": 7704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 10.180
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.964
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.360,3.190],
"number_observations": 49719,
"number_observations_unique": 7337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 12.420
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.776
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.560,3.360],
"number_observations": 44309,
"number_observations_unique": 6922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 14.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.401
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.810,3.560],
"number_observations": 38757,
"number_observations_unique": 5919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 17.260
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 6.548
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.120,3.810],
"number_observations": 37267,
"number_observations_unique": 5570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 21.060
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 6.691
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.510,4.120],
"number_observations": 38275,
"number_observations_unique": 5644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 25.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.782
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.040,4.510],
"number_observations": 32511,
"number_observations_unique": 5142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 27.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.323
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.820,5.040],
"number_observations": 29389,
"number_observations_unique": 4550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.459
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.130,5.820],
"number_observations": 26455,
"number_observations_unique": 3873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 28.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.831
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [10.080,7.130],
"number_observations": 18970,
"number_observations_unique": 3053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 33.870
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.214
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [62.710,10.080],
"number_observations": 10936,
"number_observations_unique": 1746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 39.180
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.263
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}