Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80035843145b3bdcfab8898467c8622a",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.496,
"b": 135.496,
"c": 235.736,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.59,2.040],
"number_observations": 536177,
"number_observations_unique": 102765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.218
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.040],
"number_observations": 37752,
"number_observations_unique": 7670,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.496
},
{
"type": "R(meas)",
"value": 1.677
},
{
"type": "I/SigI",
"value": 1.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.922
},
{
"type": "CC(1/2)",
"value": 0.400
}
]
},
{
"resolution_limits": [2.150,2.090],
"number_observations": 37650,
"number_observations_unique": 7384,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.199
},
{
"type": "R(meas)",
"value": 1.339
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.099
},
{
"type": "CC(1/2)",
"value": 0.537
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations": 39094,
"number_observations_unique": 7246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.824
},
{
"type": "R(meas)",
"value": 0.914
},
{
"type": "I/SigI",
"value": 2.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.395
},
{
"type": "CC(1/2)",
"value": 0.727
}
]
},
{
"resolution_limits": [2.280,2.210],
"number_observations": 37444,
"number_observations_unique": 6970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.692
},
{
"type": "R(meas)",
"value": 0.768
},
{
"type": "I/SigI",
"value": 2.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.372
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [2.360,2.280],
"number_observations": 36023,
"number_observations_unique": 6782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "R(meas)",
"value": 0.596
},
{
"type": "I/SigI",
"value": 3.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.312
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [2.440,2.360],
"number_observations": 34242,
"number_observations_unique": 6528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "R(meas)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 4.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.245
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [2.530,2.440],
"number_observations": 31547,
"number_observations_unique": 6313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 5.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.997
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [2.630,2.530],
"number_observations": 31562,
"number_observations_unique": 6130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 7.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.149
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.750,2.630],
"number_observations": 31718,
"number_observations_unique": 5817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 8.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.453
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.890,2.750],
"number_observations": 30329,
"number_observations_unique": 5601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 10.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.415
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.040,2.890],
"number_observations": 28301,
"number_observations_unique": 5290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 13.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.350
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.230,3.040],
"number_observations": 26009,
"number_observations_unique": 5045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 17.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.155
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.450,3.230],
"number_observations": 23622,
"number_observations_unique": 4723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 22.180
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.001
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.720,3.450],
"number_observations": 23963,
"number_observations_unique": 4380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 28.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.471
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.080,3.720],
"number_observations": 21596,
"number_observations_unique": 4049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 33.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.334
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.560,4.080],
"number_observations": 18504,
"number_observations_unique": 3639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 37.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.085
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.270,4.560],
"number_observations": 15592,
"number_observations_unique": 3242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 38.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.809
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.450,5.270],
"number_observations": 14768,
"number_observations_unique": 2716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 38.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.437
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [9.120,6.450],
"number_observations": 10527,
"number_observations_unique": 2098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 42.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.018
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.590,9.120],
"number_observations": 5934,
"number_observations_unique": 1142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 50.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.196
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}