Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a517049a04e207f2d74fb86540e3288d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.246,
"b": 53.866,
"c": 75.286,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.70001],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.81,0.950],
"number_observations": 543218,
"number_observations_unique": 83426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 17.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.530
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [0.970,0.950],
"number_observations": 39548,
"number_observations_unique": 6089,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.124
},
{
"type": "R(meas)",
"value": 1.222
},
{
"type": "I/SigI",
"value": 1.530
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.495
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [1.000,0.970],
"number_observations": 38111,
"number_observations_unique": 5935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.868
},
{
"type": "R(meas)",
"value": 0.945
},
{
"type": "I/SigI",
"value": 1.980
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.421
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [1.030,1.000],
"number_observations": 35168,
"number_observations_unique": 5765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.602
},
{
"type": "R(meas)",
"value": 0.659
},
{
"type": "I/SigI",
"value": 2.760
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [1.060,1.030],
"number_observations": 36571,
"number_observations_unique": 5618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "R(meas)",
"value": 0.483
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.510
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.100,1.060],
"number_observations": 36470,
"number_observations_unique": 5430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "I/SigI",
"value": 5.620
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.716
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.140,1.100],
"number_observations": 35051,
"number_observations_unique": 5294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 7.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.621
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.180,1.140],
"number_observations": 33002,
"number_observations_unique": 5084,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.491
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [1.230,1.180],
"number_observations": 30285,
"number_observations_unique": 4929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 9.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.144
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.280,1.230],
"number_observations": 32045,
"number_observations_unique": 4724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 11.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.783
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.340,1.280],
"number_observations": 30772,
"number_observations_unique": 4539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 13.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.779
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.420,1.340],
"number_observations": 28726,
"number_observations_unique": 4278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 16.370
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.715
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.500,1.420],
"number_observations": 26140,
"number_observations_unique": 4078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 19.650
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.410
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.610,1.500],
"number_observations": 25149,
"number_observations_unique": 3865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 24.950
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.507
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.730,1.610],
"number_observations": 24747,
"number_observations_unique": 3570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 31.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.932
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.900,1.730],
"number_observations": 22641,
"number_observations_unique": 3337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 39.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.785
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.120,1.900],
"number_observations": 18934,
"number_observations_unique": 2999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 49.640
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.313
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.450,2.120],
"number_observations": 17178,
"number_observations_unique": 2698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 57.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.367
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [3.000,2.450],
"number_observations": 15279,
"number_observations_unique": 2291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 66.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.669
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.250,3.000],
"number_observations": 10759,
"number_observations_unique": 1802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 73.410
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.971
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [43.810,4.250],
"number_observations": 6642,
"number_observations_unique": 1076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 77.050
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.173
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}