Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e8fb959b23075c72a415f407fcb51e7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 105.07,
"b": 159.08,
"c": 179.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.420,1.900],
"number_observations": 1497208,
"number_observations_unique": 235320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 12.640
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.362
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 83569,
"number_observations_unique": 17248,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.797
},
{
"type": "R(meas)",
"value": 2.022
},
{
"type": "I/SigI",
"value": 0.740
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.845
},
{
"type": "CC(1/2)",
"value": 0.309
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations": 89937,
"number_observations_unique": 16761,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.253
},
{
"type": "R(meas)",
"value": 1.392
},
{
"type": "I/SigI",
"value": 1.190
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.366
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations": 91100,
"number_observations_unique": 16429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.888
},
{
"type": "R(meas)",
"value": 0.983
},
{
"type": "I/SigI",
"value": 1.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.545
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations": 92045,
"number_observations_unique": 15846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "R(meas)",
"value": 0.730
},
{
"type": "I/SigI",
"value": 2.420
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.809
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations": 95000,
"number_observations_unique": 15446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.485
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 3.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.150
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations": 99867,
"number_observations_unique": 14924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "R(meas)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 4.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.692
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations": 102461,
"number_observations_unique": 14459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.294
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 5.880
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.086
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations": 97070,
"number_observations_unique": 13858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 7.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.005
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations": 91797,
"number_observations_unique": 13355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 9.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.874
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations": 83524,
"number_observations_unique": 12763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 10.970
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.544
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations": 82269,
"number_observations_unique": 12139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 13.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.777
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations": 81159,
"number_observations_unique": 11546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 17.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.029
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations": 75137,
"number_observations_unique": 10820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 21.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.944
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations": 66802,
"number_observations_unique": 10136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 25.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.591
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations": 62942,
"number_observations_unique": 9332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 30.840
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.745
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations": 59234,
"number_observations_unique": 8470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 35.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.993
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations": 50319,
"number_observations_unique": 7492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 38.420
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.716
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations": 41548,
"number_observations_unique": 6401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 37.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.491
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations": 33756,
"number_observations_unique": 5011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 39.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.736
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [63.420,8.500],
"number_observations": 17672,
"number_observations_unique": 2884,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 43.590
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.128
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}