Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b0dbd16943fa8c6bdea2b314e40dd78",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 79.80,
"b": 79.80,
"c": 519.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.650],
"number_observations_unique": 57256,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 13.640
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.650],
"number_observations_unique": 4068,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.655
},
{
"type": "CC(1/2)",
"value": 0.899
}
]
},
{
"resolution_limits": [2.790,2.720],
"number_observations_unique": 4043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.493
},
{
"type": "R(meas)",
"value": 0.543
},
{
"type": "I/SigI",
"value": 3.530
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.647
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.870,2.790],
"number_observations_unique": 3982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "R(meas)",
"value": 0.489
},
{
"type": "I/SigI",
"value": 3.930
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.637
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [2.960,2.870],
"number_observations_unique": 3807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.652
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [3.060,2.960],
"number_observations_unique": 3751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 6.520
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.609
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.170,3.060],
"number_observations_unique": 3557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 8.170
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.588
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.290,3.170],
"number_observations_unique": 3493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 10.330
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.585
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.420,3.290],
"number_observations_unique": 3356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 12.860
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.579
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.570,3.420],
"number_observations_unique": 3234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 14.960
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.542
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.750,3.570],
"number_observations_unique": 3088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 17.260
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.534
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.950,3.750],
"number_observations_unique": 2995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 19.750
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.514
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.190,3.950],
"number_observations_unique": 2823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 21.190
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.491
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.480,4.190],
"number_observations_unique": 2638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 22.930
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.840,4.480],
"number_observations_unique": 2455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 24.190
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.418
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.300,4.840],
"number_observations_unique": 2363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 23.550
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.375
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.930,5.300],
"number_observations_unique": 2050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 23.770
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.310
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.840,5.930],
"number_observations_unique": 1892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 24.610
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.238
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [8.380,6.840],
"number_observations_unique": 1610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 26.630
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.142
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [11.850,8.380],
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 26.940
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.914
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50,11.850],
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 24.140
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 4.298
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}