Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a853992b8a3897609230dae47e8383f6",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.148,
"b": 135.148,
"c": 235.062,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.47,2.300],
"number_observations": 276413,
"number_observations_unique": 70979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 13.060
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.89
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 20109,
"number_observations_unique": 5209,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.122
},
{
"type": "R(meas)",
"value": 1.309
},
{
"type": "I/SigI",
"value": 1.280
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.344
}
]
},
{
"resolution_limits": [2.420,2.360],
"number_observations": 19897,
"number_observations_unique": 5123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.882
},
{
"type": "R(meas)",
"value": 1.026
},
{
"type": "I/SigI",
"value": 1.570
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations": 19376,
"number_observations_unique": 4991,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.799
},
{
"type": "R(meas)",
"value": 0.928
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.578
}
]
},
{
"resolution_limits": [2.570,2.490],
"number_observations": 18762,
"number_observations_unique": 4842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.569
},
{
"type": "R(meas)",
"value": 0.662
},
{
"type": "I/SigI",
"value": 2.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.705
}
]
},
{
"resolution_limits": [2.660,2.570],
"number_observations": 18312,
"number_observations_unique": 4700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.447
},
{
"type": "R(meas)",
"value": 0.519
},
{
"type": "I/SigI",
"value": 3.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.807
}
]
},
{
"resolution_limits": [2.750,2.660],
"number_observations": 17559,
"number_observations_unique": 4514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.363
},
{
"type": "R(meas)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 3.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [2.850,2.750],
"number_observations": 17085,
"number_observations_unique": 4387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "R(meas)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 4.720
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [2.970,2.850],
"number_observations": 16405,
"number_observations_unique": 4197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "I/SigI",
"value": 6.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [3.100,2.970],
"number_observations": 15782,
"number_observations_unique": 4027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "I/SigI",
"value": 7.850
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.250,3.100],
"number_observations": 15281,
"number_observations_unique": 3908,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 10.630
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.430,3.250],
"number_observations": 14288,
"number_observations_unique": 3658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 14.770
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.640,3.430],
"number_observations": 13565,
"number_observations_unique": 3471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 19.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.890,3.640],
"number_observations": 12607,
"number_observations_unique": 3262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 24.060
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.200,3.890],
"number_observations": 11711,
"number_observations_unique": 3011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.600,4.200],
"number_observations": 11100,
"number_observations_unique": 2837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 33.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.140,4.600],
"number_observations": 9790,
"number_observations_unique": 2499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 37.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.940,5.140],
"number_observations": 8816,
"number_observations_unique": 2236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 35.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.270,5.940],
"number_observations": 7409,
"number_observations_unique": 1885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 37.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.290,7.270],
"number_observations": 5672,
"number_observations_unique": 1451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 49.230
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.47,10.290],
"number_observations": 2887,
"number_observations_unique": 771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 52.680
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}