Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "868d5b47806064a9a6f30cb569812118",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 36.525,
"b": 56.986,
"c": 61.028,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"diffraction_limits_estimated": {
"eigenvalues": [1.52100, 1.37900, 1.42800],
"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": [31.341,1.383],
"number_observations": 144319,
"number_observations_unique": 22145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1574
},
{
"type": "R(meas)",
"value": 0.1712
},
{
"type": "R(pim)",
"value": 0.0668
},
{
"type": "I/SigI",
"value": 8.09
},
{
"type": "CompletenessSpherical",
"value": 82.8
},
{
"type": "CompletenessEllipsoidal",
"value": 93.3
},
{
"type": "Redundancy",
"value": 6.52
},
{
"type": "CC(1/2)",
"value": 0.997
},
{
"type": "CompletenessAnoSpherical",
"value": 82.2
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 93.2
},
{
"type": "RedundancyAno",
"value": 3.47
},
{
"type": "CC(ano)",
"value": -0.140
},
{
"type": "SigAno",
"value": 0.739
}
]
},
"refln_shells": [
{
"resolution_limits": [31.341,4.133],
"number_observations": 6818,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0570
},
{
"type": "R(meas)",
"value": 0.0625
},
{
"type": "R(pim)",
"value": 0.0252
},
{
"type": "I/SigI",
"value": 24.66
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.16
},
{
"type": "CC(1/2)",
"value": 0.999
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.63
},
{
"type": "CC(ano)",
"value": -0.453
},
{
"type": "SigAno",
"value": 0.681
}
]
},
{
"resolution_limits": [4.131,3.250],
"number_observations": 6797,
"number_observations_unique": 1108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0586
},
{
"type": "R(meas)",
"value": 0.0641
},
{
"type": "R(pim)",
"value": 0.0255
},
{
"type": "I/SigI",
"value": 22.93
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.13
},
{
"type": "CC(1/2)",
"value": 0.997
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.40
},
{
"type": "CC(ano)",
"value": -0.346
},
{
"type": "SigAno",
"value": 0.694
}
]
},
{
"resolution_limits": [3.249,2.824],
"number_observations": 7273,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0737
},
{
"type": "R(meas)",
"value": 0.0801
},
{
"type": "R(pim)",
"value": 0.0309
},
{
"type": "I/SigI",
"value": 18.72
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.57
},
{
"type": "CC(1/2)",
"value": 0.997
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.59
},
{
"type": "CC(ano)",
"value": -0.135
},
{
"type": "SigAno",
"value": 0.717
}
]
},
{
"resolution_limits": [2.824,2.559],
"number_observations": 7465,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1037
},
{
"type": "R(meas)",
"value": 0.1123
},
{
"type": "R(pim)",
"value": 0.0428
},
{
"type": "I/SigI",
"value": 14.39
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.74
},
{
"type": "CC(1/2)",
"value": 0.995
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.65
},
{
"type": "CC(ano)",
"value": -0.043
},
{
"type": "SigAno",
"value": 0.735
}
]
},
{
"resolution_limits": [2.559,2.368],
"number_observations": 7282,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1244
},
{
"type": "R(meas)",
"value": 0.1352
},
{
"type": "R(pim)",
"value": 0.0525
},
{
"type": "I/SigI",
"value": 12.22
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.58
},
{
"type": "CC(1/2)",
"value": 0.992
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.52
},
{
"type": "CC(ano)",
"value": -0.025
},
{
"type": "SigAno",
"value": 0.770
}
]
},
{
"resolution_limits": [2.368,2.224],
"number_observations": 7009,
"number_observations_unique": 1108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1367
},
{
"type": "R(meas)",
"value": 0.1490
},
{
"type": "R(pim)",
"value": 0.0587
},
{
"type": "I/SigI",
"value": 10.99
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.33
},
{
"type": "CC(1/2)",
"value": 0.991
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.38
},
{
"type": "CC(ano)",
"value": -0.097
},
{
"type": "SigAno",
"value": 0.765
}
]
},
{
"resolution_limits": [2.224,2.110],
"number_observations": 7382,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1615
},
{
"type": "R(meas)",
"value": 0.1753
},
{
"type": "R(pim)",
"value": 0.0676
},
{
"type": "I/SigI",
"value": 10.35
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.67
},
{
"type": "CC(1/2)",
"value": 0.986
},
{
"type": "CompletenessAnoSpherical",
"value": 99.9
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 99.9
},
{
"type": "RedundancyAno",
"value": 3.54
},
{
"type": "CC(ano)",
"value": -0.092
},
{
"type": "SigAno",
"value": 0.759
}
]
},
{
"resolution_limits": [2.110,2.016],
"number_observations": 6733,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1890
},
{
"type": "R(meas)",
"value": 0.2069
},
{
"type": "R(pim)",
"value": 0.0832
},
{
"type": "I/SigI",
"value": 8.42
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.08
},
{
"type": "CC(1/2)",
"value": 0.981
},
{
"type": "CompletenessAnoSpherical",
"value": 99.7
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 99.7
},
{
"type": "RedundancyAno",
"value": 3.24
},
{
"type": "CC(ano)",
"value": -0.028
},
{
"type": "SigAno",
"value": 0.756
}
]
},
{
"resolution_limits": [2.016,1.935],
"number_observations": 7207,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2262
},
{
"type": "R(meas)",
"value": 0.2460
},
{
"type": "R(pim)",
"value": 0.0958
},
{
"type": "I/SigI",
"value": 7.54
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.51
},
{
"type": "CC(1/2)",
"value": 0.977
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.43
},
{
"type": "CC(ano)",
"value": -0.045
},
{
"type": "SigAno",
"value": 0.755
}
]
},
{
"resolution_limits": [1.935,1.867],
"number_observations": 7381,
"number_observations_unique": 1108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2943
},
{
"type": "R(meas)",
"value": 0.3193
},
{
"type": "R(pim)",
"value": 0.1228
},
{
"type": "I/SigI",
"value": 5.84
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.66
},
{
"type": "CC(1/2)",
"value": 0.968
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.53
},
{
"type": "CC(ano)",
"value": -0.024
},
{
"type": "SigAno",
"value": 0.738
}
]
},
{
"resolution_limits": [1.867,1.808],
"number_observations": 7450,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3837
},
{
"type": "R(meas)",
"value": 0.4160
},
{
"type": "R(pim)",
"value": 0.1594
},
{
"type": "I/SigI",
"value": 4.63
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.73
},
{
"type": "CC(1/2)",
"value": 0.949
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.55
},
{
"type": "CC(ano)",
"value": -0.051
},
{
"type": "SigAno",
"value": 0.724
}
]
},
{
"resolution_limits": [1.808,1.755],
"number_observations": 7507,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4909
},
{
"type": "R(meas)",
"value": 0.5320
},
{
"type": "R(pim)",
"value": 0.2037
},
{
"type": "I/SigI",
"value": 3.79
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.78
},
{
"type": "CC(1/2)",
"value": 0.906
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.56
},
{
"type": "CC(ano)",
"value": 0.051
},
{
"type": "SigAno",
"value": 0.765
}
]
},
{
"resolution_limits": [1.755,1.707],
"number_observations": 7557,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5961
},
{
"type": "R(meas)",
"value": 0.6458
},
{
"type": "R(pim)",
"value": 0.2467
},
{
"type": "I/SigI",
"value": 3.19
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.866
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.59
},
{
"type": "CC(ano)",
"value": -0.001
},
{
"type": "SigAno",
"value": 0.759
}
]
},
{
"resolution_limits": [1.707,1.665],
"number_observations": 6963,
"number_observations_unique": 1108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6594
},
{
"type": "R(meas)",
"value": 0.7195
},
{
"type": "R(pim)",
"value": 0.2852
},
{
"type": "I/SigI",
"value": 2.73
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.28
},
{
"type": "CC(1/2)",
"value": 0.846
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.29
},
{
"type": "CC(ano)",
"value": -0.037
},
{
"type": "SigAno",
"value": 0.717
}
]
},
{
"resolution_limits": [1.665,1.626],
"number_observations": 7080,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.7354
},
{
"type": "R(meas)",
"value": 0.8011
},
{
"type": "R(pim)",
"value": 0.3147
},
{
"type": "I/SigI",
"value": 2.44
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.40
},
{
"type": "CC(1/2)",
"value": 0.825
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.36
},
{
"type": "CC(ano)",
"value": -0.040
},
{
"type": "SigAno",
"value": 0.723
}
]
},
{
"resolution_limits": [1.626,1.590],
"number_observations": 7300,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9306
},
{
"type": "R(meas)",
"value": 1.0106
},
{
"type": "R(pim)",
"value": 0.3909
},
{
"type": "I/SigI",
"value": 2.05
},
{
"type": "CompletenessSpherical",
"value": 100.0
},
{
"type": "CompletenessEllipsoidal",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.59
},
{
"type": "CC(1/2)",
"value": 0.776
},
{
"type": "CompletenessAnoSpherical",
"value": 100.0
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 100.0
},
{
"type": "RedundancyAno",
"value": 3.44
},
{
"type": "CC(ano)",
"value": 0.023
},
{
"type": "SigAno",
"value": 0.749
}
]
},
{
"resolution_limits": [1.590,1.558],
"number_observations": 7236,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.9432
},
{
"type": "R(meas)",
"value": 1.0252
},
{
"type": "R(pim)",
"value": 0.3986
},
{
"type": "I/SigI",
"value": 2.01
},
{
"type": "CompletenessSpherical",
"value": 97.3
},
{
"type": "CompletenessEllipsoidal",
"value": 97.3
},
{
"type": "Redundancy",
"value": 6.54
},
{
"type": "CC(1/2)",
"value": 0.751
},
{
"type": "CompletenessAnoSpherical",
"value": 97.5
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 97.5
},
{
"type": "RedundancyAno",
"value": 3.42
},
{
"type": "CC(ano)",
"value": 0.019
},
{
"type": "SigAno",
"value": 0.732
}
]
},
{
"resolution_limits": [1.558,1.521],
"number_observations": 6859,
"number_observations_unique": 1108,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.0411
},
{
"type": "R(meas)",
"value": 1.1381
},
{
"type": "R(pim)",
"value": 0.4554
},
{
"type": "I/SigI",
"value": 1.76
},
{
"type": "CompletenessSpherical",
"value": 83.2
},
{
"type": "CompletenessEllipsoidal",
"value": 83.2
},
{
"type": "Redundancy",
"value": 6.19
},
{
"type": "CC(1/2)",
"value": 0.643
},
{
"type": "CompletenessAnoSpherical",
"value": 82.9
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 82.9
},
{
"type": "RedundancyAno",
"value": 3.24
},
{
"type": "CC(ano)",
"value": 0.049
},
{
"type": "SigAno",
"value": 0.750
}
]
},
{
"resolution_limits": [1.521,1.479],
"number_observations": 7353,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.2248
},
{
"type": "R(meas)",
"value": 1.3296
},
{
"type": "R(pim)",
"value": 0.5132
},
{
"type": "I/SigI",
"value": 1.59
},
{
"type": "CompletenessSpherical",
"value": 63.1
},
{
"type": "CompletenessEllipsoidal",
"value": 70.6
},
{
"type": "Redundancy",
"value": 6.64
},
{
"type": "CC(1/2)",
"value": 0.615
},
{
"type": "CompletenessAnoSpherical",
"value": 62.6
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 69.7
},
{
"type": "RedundancyAno",
"value": 3.49
},
{
"type": "CC(ano)",
"value": -0.021
},
{
"type": "SigAno",
"value": 0.717
}
]
},
{
"resolution_limits": [1.479,1.383],
"number_observations": 7667,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.3553
},
{
"type": "R(meas)",
"value": 1.4662
},
{
"type": "R(pim)",
"value": 0.5564
},
{
"type": "I/SigI",
"value": 1.51
},
{
"type": "CompletenessSpherical",
"value": 23.1
},
{
"type": "CompletenessEllipsoidal",
"value": 54.8
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.515
},
{
"type": "CompletenessAnoSpherical",
"value": 23.5
},
{
"type": "CompletenessAnoEllipsoidal",
"value": 56.8
},
{
"type": "RedundancyAno",
"value": 3.58
},
{
"type": "CC(ano)",
"value": -0.045
},
{
"type": "SigAno",
"value": 0.756
}
]
}
]
}