Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ecdcd341f5272eae63f1ec44c26f7071",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 145.517,
"b": 145.517,
"c": 145.517,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96546],
"diffraction_limits_estimated": {
"eigenvalues": [1.98400, 1.98400, 1.98400],
"eigenvectors": [
[1.00000, 0.00000, 0.00000],
[0.00000, 1.00000, 0.00000],
[0.00000, 0.00000, 1.00000]
]
},
"signal_type": "local <I/sigmaI>",
"signal_cutoff": 1.20,
"anisotropic_diffraction": true,
"overall_refln_statistics": {
"resolution_limits": [34.299,1.984],
"number_observations": 1364986,
"number_observations_unique": 34279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0874
},
{
"type": "R(meas)",
"value": 0.0886
},
{
"type": "R(pim)",
"value": 0.0141
},
{
"type": "I/SigI",
"value": 29.54
},
{
"type": "CompletenessSpherical",
"value": 96.6
},
{
"type": "CompletenessEllipsoidal",
"value": 96.6
},
{
"type": "Redundancy",
"value": 39.82
},
{
"type": "CC(1/2)",
"value": 1.000
},
{
"type": "CompletenessAnoSpherical",
"value": 96.6
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 96.6
},
{
"type": "RedundancyAno",
"value": 20.54
},
{
"type": "CC(ano)",
"value": -0.372
},
{
"type": "SigAno",
"value": 0.748
}
]
},
"refln_shells": [
{
"resolution_limits": [34.299,4.376],
"number_observations": 121027,
"number_observations_unique": 3416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0391
},
{
"type": "R(meas)",
"value": 0.0396
},
{
"type": "R(pim)",
"value": 0.0065
},
{
"type": "I/SigI",
"value": 94.16
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 35.43
},
{
"type": "CC(1/2)",
"value": 0.999
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 18.97
},
{
"type": "CC(ano)",
"value": -0.396
},
{
"type": "SigAno",
"value": 0.779
}
]
},
{
"resolution_limits": [4.376,3.459],
"number_observations": 131526,
"number_observations_unique": 3450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0480
},
{
"type": "R(meas)",
"value": 0.0487
},
{
"type": "R(pim)",
"value": 0.0078
},
{
"type": "I/SigI",
"value": 80.41
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 38.12
},
{
"type": "CC(1/2)",
"value": 0.999
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 19.81
},
{
"type": "CC(ano)",
"value": -0.464
},
{
"type": "SigAno",
"value": 0.740
}
]
},
{
"resolution_limits": [3.459,3.015],
"number_observations": 141112,
"number_observations_unique": 3426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0834
},
{
"type": "R(meas)",
"value": 0.0844
},
{
"type": "R(pim)",
"value": 0.0132
},
{
"type": "I/SigI",
"value": 51.87
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 41.19
},
{
"type": "CC(1/2)",
"value": 0.998
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 21.30
},
{
"type": "CC(ano)",
"value": -0.402
},
{
"type": "SigAno",
"value": 0.754
}
]
},
{
"resolution_limits": [3.015,2.733],
"number_observations": 126102,
"number_observations_unique": 3412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1586
},
{
"type": "R(meas)",
"value": 0.1608
},
{
"type": "R(pim)",
"value": 0.0263
},
{
"type": "I/SigI",
"value": 28.50
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 36.96
},
{
"type": "CC(1/2)",
"value": 0.997
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 19.05
},
{
"type": "CC(ano)",
"value": -0.125
},
{
"type": "SigAno",
"value": 0.757
}
]
},
{
"resolution_limits": [2.733,2.537],
"number_observations": 135679,
"number_observations_unique": 3440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3058
},
{
"type": "R(meas)",
"value": 0.3098
},
{
"type": "R(pim)",
"value": 0.0492
},
{
"type": "I/SigI",
"value": 16.60
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 39.44
},
{
"type": "CC(1/2)",
"value": 0.992
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 20.26
},
{
"type": "CC(ano)",
"value": -0.049
},
{
"type": "SigAno",
"value": 0.759
}
]
},
{
"resolution_limits": [2.537,2.385],
"number_observations": 141174,
"number_observations_unique": 3427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5461
},
{
"type": "R(meas)",
"value": 0.5529
},
{
"type": "R(pim)",
"value": 0.0859
},
{
"type": "I/SigI",
"value": 9.47
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 41.19
},
{
"type": "CC(1/2)",
"value": 0.980
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 21.11
},
{
"type": "CC(ano)",
"value": -0.022
},
{
"type": "SigAno",
"value": 0.740
}
]
},
{
"resolution_limits": [2.385,2.264],
"number_observations": 143332,
"number_observations_unique": 3426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.8300
},
{
"type": "R(meas)",
"value": 0.8401
},
{
"type": "R(pim)",
"value": 0.1295
},
{
"type": "I/SigI",
"value": 6.17
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 41.84
},
{
"type": "CC(1/2)",
"value": 0.953
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 21.42
},
{
"type": "CC(ano)",
"value": -0.061
},
{
"type": "SigAno",
"value": 0.726
}
]
},
{
"resolution_limits": [2.264,2.165],
"number_observations": 143689,
"number_observations_unique": 3427,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.2380
},
{
"type": "R(meas)",
"value": 1.2531
},
{
"type": "R(pim)",
"value": 0.1931
},
{
"type": "I/SigI",
"value": 4.16
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 41.93
},
{
"type": "CC(1/2)",
"value": 0.901
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 21.45
},
{
"type": "CC(ano)",
"value": -0.057
},
{
"type": "SigAno",
"value": 0.730
}
]
},
{
"resolution_limits": [2.165,2.080],
"number_observations": 145978,
"number_observations_unique": 3435,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.9634
},
{
"type": "R(meas)",
"value": 1.9870
},
{
"type": "R(pim)",
"value": 0.3041
},
{
"type": "I/SigI",
"value": 2.53
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 42.50
},
{
"type": "CC(1/2)",
"value": 0.802
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 21.71
},
{
"type": "CC(ano)",
"value": -0.007
},
{
"type": "SigAno",
"value": 0.728
}
]
},
{
"resolution_limits": [2.080,1.984],
"number_observations": 135367,
"number_observations_unique": 3420,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.3256
},
{
"type": "R(meas)",
"value": 3.3684
},
{
"type": "R(pim)",
"value": 0.5339
},
{
"type": "I/SigI",
"value": 1.45
},
{
"type": "CompletenessSpherical",
"value": 74.1
},
{
"type": "CompletenessEllipsoidal",
"value": 74.1
},
{
"type": "Redundancy",
"value": 39.58
},
{
"type": "CC(1/2)",
"value": 0.588
},
{
"type": "CompletenessAnoSpherical",
"value": 74.5
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 74.5
},
{
"type": "RedundancyAno",
"value": 20.15
},
{
"type": "CC(ano)",
"value": -0.010
},
{
"type": "SigAno",
"value": 0.767
}
]
}
]
}