Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a56bd04aaefa2af0e03bfee39602fee3",
"space_group_name": "P 61",
"unit_cell": {
"a": 98.06,
"b": 98.06,
"c": 81.26,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97618],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.100,2.050],
"number_observations": 543827,
"number_observations_unique": 52049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 10.448
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.050],
"number_observations": 5575,
"number_observations_unique": 1992,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.222
},
{
"type": "R(meas)",
"value": 1.497
},
{
"type": "I/SigI",
"value": 0.790
},
{
"type": "Completeness",
"value": 49.800
},
{
"type": "Redundancy",
"value": 2.799
},
{
"type": "CC(1/2)",
"value": 0.403
}
]
},
{
"resolution_limits": [2.160,2.100],
"number_observations": 14766,
"number_observations_unique": 3454,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.010
},
{
"type": "R(meas)",
"value": 1.156
},
{
"type": "I/SigI",
"value": 1.260
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 4.275
},
{
"type": "CC(1/2)",
"value": 0.615
}
]
},
{
"resolution_limits": [2.220,2.160],
"number_observations": 18572,
"number_observations_unique": 3611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.799
},
{
"type": "R(meas)",
"value": 0.892
},
{
"type": "I/SigI",
"value": 1.880
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 5.143
},
{
"type": "CC(1/2)",
"value": 0.756
}
]
},
{
"resolution_limits": [2.290,2.220],
"number_observations": 22235,
"number_observations_unique": 3678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.685
},
{
"type": "R(meas)",
"value": 0.751
},
{
"type": "I/SigI",
"value": 2.430
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.045
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [2.370,2.290],
"number_observations": 27743,
"number_observations_unique": 3663,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.548
},
{
"type": "R(meas)",
"value": 0.589
},
{
"type": "I/SigI",
"value": 3.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.574
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [2.450,2.370],
"number_observations": 36209,
"number_observations_unique": 3515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.451
},
{
"type": "R(meas)",
"value": 0.475
},
{
"type": "I/SigI",
"value": 5.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.301
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.540,2.450],
"number_observations": 37569,
"number_observations_unique": 3402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.380
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 6.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.043
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.650,2.540],
"number_observations": 35882,
"number_observations_unique": 3236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "I/SigI",
"value": 7.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.088
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.760,2.650],
"number_observations": 34122,
"number_observations_unique": 3109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.975
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.900,2.760],
"number_observations": 32400,
"number_observations_unique": 2992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 12.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.829
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.050,2.900],
"number_observations": 30354,
"number_observations_unique": 2854,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 15.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.636
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.240,3.050],
"number_observations": 26986,
"number_observations_unique": 2648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 18.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.191
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.460,3.240],
"number_observations": 22844,
"number_observations_unique": 2541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 21.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.990
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.740,3.460],
"number_observations": 25631,
"number_observations_unique": 2351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 27.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.902
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.100,3.740],
"number_observations": 28843,
"number_observations_unique": 2160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 31.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.353
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.580,4.100],
"number_observations": 41726,
"number_observations_unique": 1923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 37.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.698
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.290,4.580],
"number_observations": 36981,
"number_observations_unique": 1727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 39.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.413
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.480,5.290],
"number_observations": 29507,
"number_observations_unique": 1469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 39.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.086
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.160,6.480],
"number_observations": 23608,
"number_observations_unique": 1110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 44.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.268
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [32.100,9.160],
"number_observations": 12274,
"number_observations_unique": 614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 46.470
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 19.990
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}