Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d9989239f83e170b672ff3d4f72b64f",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 400.0,
"b": 400.0,
"c": 173.0,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.981,2.900],
"number_observations": 23797436,
"number_observations_unique": 298139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.830
},
{
"type": "R(meas)",
"value": 0.835
},
{
"type": "I/SigI",
"value": 7.290
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 79.820
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.980,2.900],
"number_observations": 553133,
"number_observations_unique": 15653,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.130
},
{
"type": "R(meas)",
"value": 6.165
},
{
"type": "I/SigI",
"value": 0.100
},
{
"type": "Completeness",
"value": 69.800
},
{
"type": "Redundancy",
"value": 35.337
},
{
"type": "CC(1/2)",
"value": 0.160
}
]
},
{
"resolution_limits": [3.060,2.980],
"number_observations": 1137350,
"number_observations_unique": 21520,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.762
},
{
"type": "R(meas)",
"value": 3.783
},
{
"type": "I/SigI",
"value": 0.290
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 52.851
},
{
"type": "CC(1/2)",
"value": 0.243
}
]
},
{
"resolution_limits": [3.150,3.060],
"number_observations": 1683892,
"number_observations_unique": 21263,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.745
},
{
"type": "R(meas)",
"value": 2.760
},
{
"type": "I/SigI",
"value": 0.470
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 79.194
},
{
"type": "CC(1/2)",
"value": 0.353
}
]
},
{
"resolution_limits": [3.250,3.150],
"number_observations": 1796178,
"number_observations_unique": 20571,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.922
},
{
"type": "R(meas)",
"value": 1.933
},
{
"type": "I/SigI",
"value": 0.630
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 87.316
},
{
"type": "CC(1/2)",
"value": 0.561
}
]
},
{
"resolution_limits": [3.350,3.250],
"number_observations": 1766510,
"number_observations_unique": 20024,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.358
},
{
"type": "R(meas)",
"value": 1.367
},
{
"type": "I/SigI",
"value": 1.260
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 88.220
},
{
"type": "CC(1/2)",
"value": 0.728
}
]
},
{
"resolution_limits": [3.470,3.350],
"number_observations": 1677312,
"number_observations_unique": 19394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.922
},
{
"type": "R(meas)",
"value": 0.927
},
{
"type": "I/SigI",
"value": 2.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 86.486
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [3.600,3.470],
"number_observations": 1518032,
"number_observations_unique": 18726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.666
},
{
"type": "R(meas)",
"value": 0.670
},
{
"type": "I/SigI",
"value": 2.920
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 81.065
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [3.750,3.600],
"number_observations": 1613152,
"number_observations_unique": 17999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.497
},
{
"type": "I/SigI",
"value": 4.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 89.625
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [3.910,3.750],
"number_observations": 1547001,
"number_observations_unique": 17294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.368
},
{
"type": "I/SigI",
"value": 6.020
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 89.453
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [4.100,3.910],
"number_observations": 1459761,
"number_observations_unique": 16554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 9.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 88.182
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.330,4.100],
"number_observations": 1349657,
"number_observations_unique": 15783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "I/SigI",
"value": 12.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 85.513
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.590,4.330],
"number_observations": 1229246,
"number_observations_unique": 14933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 16.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 82.317
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.910,4.590],
"number_observations": 1244816,
"number_observations_unique": 14055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 21.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 88.567
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.300,4.910],
"number_observations": 1139929,
"number_observations_unique": 13140,
"quality_factors": [
{
"type": "I/SigI",
"value": 31.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 86.753
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.810,5.300],
"number_observations": 993785,
"number_observations_unique": 12122,
"quality_factors": [
{
"type": "I/SigI",
"value": 38.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 81.982
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.490,5.810],
"number_observations": 933197,
"number_observations_unique": 10978,
"quality_factors": [
{
"type": "I/SigI",
"value": 53.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 85.006
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [7.490,6.490],
"number_observations": 820396,
"number_observations_unique": 9748,
"quality_factors": [
{
"type": "I/SigI",
"value": 58.080
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 84.160
}
]
},
{
"resolution_limits": [9.180,7.490],
"number_observations": 609725,
"number_observations_unique": 8282,
"quality_factors": [
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 73.620
}
]
},
{
"resolution_limits": [12.980,9.180],
"number_observations": 485786,
"number_observations_unique": 6524,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 74.461
}
]
},
{
"resolution_limits": [29.981,12.980],
"number_observations": 238578,
"number_observations_unique": 3576,
"quality_factors": [
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 66.716
}
]
}
]
}