Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59ce51c9b9a18ab933b2999098e9d115",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.102,
"b": 91.847,
"c": 120.483,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00005],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.92,2.050],
"number_observations": 394531,
"number_observations_unique": 59223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 8.190
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.662
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.050],
"number_observations": 28402,
"number_observations_unique": 4307,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.725
},
{
"type": "R(meas)",
"value": 1.874
},
{
"type": "I/SigI",
"value": 1.110
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.594
},
{
"type": "CC(1/2)",
"value": 0.394
}
]
},
{
"resolution_limits": [2.160,2.100],
"number_observations": 29360,
"number_observations_unique": 4207,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.442
},
{
"type": "R(meas)",
"value": 1.557
},
{
"type": "I/SigI",
"value": 1.420
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.979
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [2.220,2.160],
"number_observations": 28488,
"number_observations_unique": 4116,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.166
},
{
"type": "R(meas)",
"value": 1.260
},
{
"type": "I/SigI",
"value": 1.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.921
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [2.290,2.220],
"number_observations": 26976,
"number_observations_unique": 3964,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.000
},
{
"type": "R(meas)",
"value": 1.083
},
{
"type": "I/SigI",
"value": 2.040
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.805
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [2.370,2.290],
"number_observations": 25760,
"number_observations_unique": 3878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.788
},
{
"type": "R(meas)",
"value": 0.856
},
{
"type": "I/SigI",
"value": 2.580
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.643
},
{
"type": "CC(1/2)",
"value": 0.783
}
]
},
{
"resolution_limits": [2.450,2.370],
"number_observations": 23856,
"number_observations_unique": 3732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.681
},
{
"type": "R(meas)",
"value": 0.743
},
{
"type": "I/SigI",
"value": 2.920
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.392
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [2.540,2.450],
"number_observations": 22735,
"number_observations_unique": 3629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.540
},
{
"type": "R(meas)",
"value": 0.590
},
{
"type": "I/SigI",
"value": 3.480
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.265
},
{
"type": "CC(1/2)",
"value": 0.886
}
]
},
{
"resolution_limits": [2.650,2.540],
"number_observations": 23713,
"number_observations_unique": 3474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.445
},
{
"type": "R(meas)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 4.540
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.826
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [2.760,2.650],
"number_observations": 23128,
"number_observations_unique": 3355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 5.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.894
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [2.900,2.760],
"number_observations": 22038,
"number_observations_unique": 3215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.276
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 7.230
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.855
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [3.060,2.900],
"number_observations": 20655,
"number_observations_unique": 3051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 9.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.770
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.240,3.060],
"number_observations": 18521,
"number_observations_unique": 2910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 10.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.365
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.470,3.240],
"number_observations": 18296,
"number_observations_unique": 2726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.712
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.740,3.470],
"number_observations": 17559,
"number_observations_unique": 2538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 17.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.918
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.100,3.740],
"number_observations": 16068,
"number_observations_unique": 2374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 19.680
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.768
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.580,4.100],
"number_observations": 13694,
"number_observations_unique": 2154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 21.840
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.357
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.290,4.580],
"number_observations": 11937,
"number_observations_unique": 1899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 22.030
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.286
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.480,5.290],
"number_observations": 10961,
"number_observations_unique": 1639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 21.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.688
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [9.170,6.480],
"number_observations": 7829,
"number_observations_unique": 1292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 23.430
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.060
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [45.920,9.170],
"number_observations": 4555,
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 30.680
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.970
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}