Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1f687af0b0721ca780ebdac2a871ee21",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 72.45,
"b": 154.51,
"c": 202.85,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [122.910,2.600],
"number_observations_unique": 26117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.483
},
{
"type": "R(meas)",
"value": 0.502
},
{
"type": "I/SigI",
"value": 3.490
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 13.384
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.670,2.600],
"number_observations": 23529,
"number_observations_unique": 4643,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.836
},
{
"type": "R(meas)",
"value": 8.112
},
{
"type": "I/SigI",
"value": 0.180
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 5.068
},
{
"type": "CC(1/2)",
"value": 0.184
}
]
},
{
"resolution_limits": [2.740,2.670],
"number_observations": 43707,
"number_observations_unique": 4867,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.760
},
{
"type": "R(meas)",
"value": 4.928
},
{
"type": "I/SigI",
"value": 0.360
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 8.980
},
{
"type": "CC(1/2)",
"value": 0.326
}
]
},
{
"resolution_limits": [2.820,2.740],
"number_observations": 58648,
"number_observations_unique": 4863,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.151
},
{
"type": "R(meas)",
"value": 3.263
},
{
"type": "I/SigI",
"value": 0.530
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 12.060
},
{
"type": "CC(1/2)",
"value": 0.457
}
]
},
{
"resolution_limits": [2.910,2.820],
"number_observations": 66580,
"number_observations_unique": 4769,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.196
},
{
"type": "R(meas)",
"value": 2.274
},
{
"type": "I/SigI",
"value": 0.890
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 13.961
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
},
{
"resolution_limits": [3.000,2.910],
"number_observations": 68066,
"number_observations_unique": 4590,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.398
},
{
"type": "R(meas)",
"value": 1.448
},
{
"type": "I/SigI",
"value": 1.260
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 14.829
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [3.110,3.000],
"number_observations": 66600,
"number_observations_unique": 4461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.935
},
{
"type": "R(meas)",
"value": 0.968
},
{
"type": "I/SigI",
"value": 1.790
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 14.929
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [3.220,3.110],
"number_observations": 65139,
"number_observations_unique": 4347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(meas)",
"value": 0.598
},
{
"type": "I/SigI",
"value": 2.550
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 14.985
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.360,3.220],
"number_observations": 62242,
"number_observations_unique": 4153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.390
},
{
"type": "I/SigI",
"value": 3.530
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 14.987
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.500,3.360],
"number_observations": 59468,
"number_observations_unique": 3978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 5.130
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 14.949
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.680,3.500],
"number_observations": 57459,
"number_observations_unique": 3846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 7.230
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 14.940
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.870,3.680],
"number_observations": 54413,
"number_observations_unique": 3656,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 8.560
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.883
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.110,3.870],
"number_observations": 51432,
"number_observations_unique": 3468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.830
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.390,4.110],
"number_observations": 48288,
"number_observations_unique": 3270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 11.040
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.767
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.750,4.390],
"number_observations": 44677,
"number_observations_unique": 3062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 17.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.591
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.200,4.750],
"number_observations": 41005,
"number_observations_unique": 2835,
"quality_factors": [
{
"type": "I/SigI",
"value": 24.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.464
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.810,5.200],
"number_observations": 36876,
"number_observations_unique": 2561,
"quality_factors": [
{
"type": "I/SigI",
"value": 25.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.399
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.710,5.810],
"number_observations": 32486,
"number_observations_unique": 2298,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.137
}
]
},
{
"resolution_limits": [8.220,6.710],
"number_observations": 26607,
"number_observations_unique": 1957,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.596
}
]
},
{
"resolution_limits": [11.620,8.220],
"number_observations": 19916,
"number_observations_unique": 1538,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.949
}
]
},
{
"resolution_limits": [122.910,11.620],
"number_observations": 10576,
"number_observations_unique": 900,
"quality_factors": [
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 11.751
}
]
}
]
}