Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7728ba58cae80cf28f7fb6ce794bba24",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 47.886,
"b": 57.293,
"c": 122.106,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99994],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.29,1.460],
"number_observations": 419901,
"number_observations_unique": 59097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 16.540
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.105
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.460],
"number_observations": 29995,
"number_observations_unique": 4283,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.064
},
{
"type": "R(meas)",
"value": 2.226
},
{
"type": "I/SigI",
"value": 0.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.003
},
{
"type": "CC(1/2)",
"value": 0.358
}
]
},
{
"resolution_limits": [1.540,1.500],
"number_observations": 28222,
"number_observations_unique": 4188,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.430
},
{
"type": "R(meas)",
"value": 1.549
},
{
"type": "I/SigI",
"value": 1.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.739
},
{
"type": "CC(1/2)",
"value": 0.579
}
]
},
{
"resolution_limits": [1.580,1.540],
"number_observations": 30601,
"number_observations_unique": 4100,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.099
},
{
"type": "R(meas)",
"value": 1.180
},
{
"type": "I/SigI",
"value": 1.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.464
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
},
{
"resolution_limits": [1.630,1.580],
"number_observations": 29309,
"number_observations_unique": 3964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.861
},
{
"type": "R(meas)",
"value": 0.924
},
{
"type": "I/SigI",
"value": 2.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.394
},
{
"type": "CC(1/2)",
"value": 0.783
}
]
},
{
"resolution_limits": [1.690,1.630],
"number_observations": 28240,
"number_observations_unique": 3879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.665
},
{
"type": "R(meas)",
"value": 0.715
},
{
"type": "I/SigI",
"value": 3.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.280
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [1.750,1.690],
"number_observations": 26654,
"number_observations_unique": 3732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.526
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "I/SigI",
"value": 3.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.142
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [1.810,1.750],
"number_observations": 24069,
"number_observations_unique": 3580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.357
},
{
"type": "R(meas)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 5.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.723
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.890,1.810],
"number_observations": 25981,
"number_observations_unique": 3495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 7.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.434
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [1.970,1.890],
"number_observations": 25171,
"number_observations_unique": 3364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 10.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.482
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.070,1.970],
"number_observations": 23684,
"number_observations_unique": 3185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 15.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.436
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.180,2.070],
"number_observations": 22049,
"number_observations_unique": 3064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 20.170
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.196
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.310,2.180],
"number_observations": 19045,
"number_observations_unique": 2869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 24.220
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.638
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.470,2.310],
"number_observations": 20246,
"number_observations_unique": 2737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 30.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.397
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.670,2.470],
"number_observations": 18885,
"number_observations_unique": 2569,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 35.220
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.351
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.920,2.670],
"number_observations": 16512,
"number_observations_unique": 2333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 39.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.078
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.270,2.920],
"number_observations": 13604,
"number_observations_unique": 2136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 43.670
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.369
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.770,3.270],
"number_observations": 13219,
"number_observations_unique": 1920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 51.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.885
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.620,3.770],
"number_observations": 11387,
"number_observations_unique": 1625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 55.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.007
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.530,4.620],
"number_observations": 8032,
"number_observations_unique": 1296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 52.480
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.198
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [57.293,6.530],
"number_observations": 4996,
"number_observations_unique": 778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 54.840
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.422
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}