Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd23ada13dde9b73e5f5c37281b8db1e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.14,
"b": 82.78,
"c": 89.36,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.110,1.400],
"number_observations": 830401,
"number_observations_unique": 61924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 13.410
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.400],
"number_observations": 59737,
"number_observations_unique": 4484,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.120
},
{
"type": "R(meas)",
"value": 1.164
},
{
"type": "I/SigI",
"value": 2.390
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 13.322
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [1.480,1.440],
"number_observations": 58537,
"number_observations_unique": 4356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.923
},
{
"type": "R(meas)",
"value": 0.959
},
{
"type": "I/SigI",
"value": 2.930
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 13.438
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [1.520,1.480],
"number_observations": 57532,
"number_observations_unique": 4260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.714
},
{
"type": "R(meas)",
"value": 0.741
},
{
"type": "I/SigI",
"value": 3.780
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 13.505
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.570,1.520],
"number_observations": 56533,
"number_observations_unique": 4138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.608
},
{
"type": "R(meas)",
"value": 0.631
},
{
"type": "I/SigI",
"value": 4.520
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 13.662
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [1.620,1.570],
"number_observations": 54855,
"number_observations_unique": 4032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "R(meas)",
"value": 0.505
},
{
"type": "I/SigI",
"value": 5.560
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 13.605
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [1.670,1.620],
"number_observations": 53399,
"number_observations_unique": 3933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "R(meas)",
"value": 0.434
},
{
"type": "I/SigI",
"value": 6.510
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.577
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [1.740,1.670],
"number_observations": 51050,
"number_observations_unique": 3768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 8.230
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 13.548
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.810,1.740],
"number_observations": 49004,
"number_observations_unique": 3640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 9.790
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 13.463
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.890,1.810],
"number_observations": 47277,
"number_observations_unique": 3514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "I/SigI",
"value": 12.210
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 13.454
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.980,1.890],
"number_observations": 44669,
"number_observations_unique": 3344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 15.650
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 13.358
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.090,1.980],
"number_observations": 42045,
"number_observations_unique": 3204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 19.980
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.123
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.210,2.090],
"number_observations": 40115,
"number_observations_unique": 3071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 25.480
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.063
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.370,2.210],
"number_observations": 39546,
"number_observations_unique": 2864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 29.410
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.808
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.560,2.370],
"number_observations": 36739,
"number_observations_unique": 2677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 33.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.724
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.800,2.560],
"number_observations": 33669,
"number_observations_unique": 2505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 37.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.441
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.130,2.800],
"number_observations": 29436,
"number_observations_unique": 2245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 41.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.112
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.610,3.130],
"number_observations": 26251,
"number_observations_unique": 2021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 48.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.989
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.430,3.610],
"number_observations": 22549,
"number_observations_unique": 1699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 55.350
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 13.272
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.260,4.430],
"number_observations": 18121,
"number_observations_unique": 1372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 55.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.208
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [38.110,6.260],
"number_observations": 9337,
"number_observations_unique": 797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 53.560
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 11.715
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}