Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "885446ce255428cbf43b127ada4f48b4",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 80.850,
"b": 100.875,
"c": 376.071,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.218,2.108],
"number_observations": 752360,
"number_observations_unique": 84677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1649
},
{
"type": "R(meas)",
"value": 0.1753
},
{
"type": "R(pim)",
"value": 0.0575
},
{
"type": "I/SigI",
"value": 9.73
},
{
"type": "Completeness",
"value": 95.0
},
{
"type": "Redundancy",
"value": 8.89
},
{
"type": "CC(1/2)",
"value": 0.996
},
{
"type": "CompletenessAno",
"value": 94.4
},
{
"type": "RedundancyAno",
"value": 4.67
},
{
"type": "CC(ano)",
"value": -0.078
},
{
"type": "SigAno",
"value": 0.767
}
]
},
"refln_shells": [
{
"resolution_limits": [62.218,5.720],
"number_observations": 38030,
"number_observations_unique": 4652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0633
},
{
"type": "R(meas)",
"value": 0.0674
},
{
"type": "R(pim)",
"value": 0.0225
},
{
"type": "I/SigI",
"value": 22.11
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 8.17
},
{
"type": "CC(1/2)",
"value": 0.998
},
{
"type": "CompletenessAno",
"value": 98.1
},
{
"type": "RedundancyAno",
"value": 4.64
},
{
"type": "CC(ano)",
"value": -0.094
},
{
"type": "SigAno",
"value": 0.708
}
]
},
{
"resolution_limits": [5.720,4.540],
"number_observations": 37864,
"number_observations_unique": 4502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0809
},
{
"type": "R(meas)",
"value": 0.0862
},
{
"type": "R(pim)",
"value": 0.0290
},
{
"type": "I/SigI",
"value": 20.50
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 8.41
},
{
"type": "CC(1/2)",
"value": 0.997
},
{
"type": "CompletenessAno",
"value": 98.4
},
{
"type": "RedundancyAno",
"value": 4.55
},
{
"type": "CC(ano)",
"value": -0.146
},
{
"type": "SigAno",
"value": 0.750
}
]
},
{
"resolution_limits": [4.540,3.967],
"number_observations": 40294,
"number_observations_unique": 4497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0790
},
{
"type": "R(meas)",
"value": 0.0838
},
{
"type": "R(pim)",
"value": 0.0274
},
{
"type": "I/SigI",
"value": 22.07
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 8.96
},
{
"type": "CC(1/2)",
"value": 0.997
},
{
"type": "CompletenessAno",
"value": 99.1
},
{
"type": "RedundancyAno",
"value": 4.77
},
{
"type": "CC(ano)",
"value": -0.090
},
{
"type": "SigAno",
"value": 0.729
}
]
},
{
"resolution_limits": [3.967,3.604],
"number_observations": 31110,
"number_observations_unique": 3586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0975
},
{
"type": "R(meas)",
"value": 0.1037
},
{
"type": "R(pim)",
"value": 0.0344
},
{
"type": "I/SigI",
"value": 18.58
},
{
"type": "Completeness",
"value": 80.8
},
{
"type": "Redundancy",
"value": 8.68
},
{
"type": "CC(1/2)",
"value": 0.995
},
{
"type": "CompletenessAno",
"value": 80.7
},
{
"type": "RedundancyAno",
"value": 4.59
},
{
"type": "CC(ano)",
"value": -0.166
},
{
"type": "SigAno",
"value": 0.755
}
]
},
{
"resolution_limits": [3.604,3.346],
"number_observations": 40305,
"number_observations_unique": 4497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1223
},
{
"type": "R(meas)",
"value": 0.1299
},
{
"type": "R(pim)",
"value": 0.0425
},
{
"type": "I/SigI",
"value": 15.98
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 8.96
},
{
"type": "CC(1/2)",
"value": 0.993
},
{
"type": "CompletenessAno",
"value": 99.3
},
{
"type": "RedundancyAno",
"value": 4.72
},
{
"type": "CC(ano)",
"value": -0.107
},
{
"type": "SigAno",
"value": 0.793
}
]
},
{
"resolution_limits": [3.346,3.148],
"number_observations": 40292,
"number_observations_unique": 4435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1553
},
{
"type": "R(meas)",
"value": 0.1647
},
{
"type": "R(pim)",
"value": 0.0534
},
{
"type": "I/SigI",
"value": 13.39
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 9.09
},
{
"type": "CC(1/2)",
"value": 0.990
},
{
"type": "CompletenessAno",
"value": 99.3
},
{
"type": "RedundancyAno",
"value": 4.76
},
{
"type": "CC(ano)",
"value": -0.078
},
{
"type": "SigAno",
"value": 0.764
}
]
},
{
"resolution_limits": [3.148,2.991],
"number_observations": 41398,
"number_observations_unique": 4447,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2005
},
{
"type": "R(meas)",
"value": 0.2125
},
{
"type": "R(pim)",
"value": 0.0682
},
{
"type": "I/SigI",
"value": 10.91
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.31
},
{
"type": "CC(1/2)",
"value": 0.985
},
{
"type": "CompletenessAno",
"value": 99.2
},
{
"type": "RedundancyAno",
"value": 4.89
},
{
"type": "CC(ano)",
"value": -0.110
},
{
"type": "SigAno",
"value": 0.794
}
]
},
{
"resolution_limits": [2.991,2.861],
"number_observations": 41650,
"number_observations_unique": 4459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2297
},
{
"type": "R(meas)",
"value": 0.2432
},
{
"type": "R(pim)",
"value": 0.0775
},
{
"type": "I/SigI",
"value": 9.73
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.34
},
{
"type": "CC(1/2)",
"value": 0.979
},
{
"type": "CompletenessAno",
"value": 99.6
},
{
"type": "RedundancyAno",
"value": 4.88
},
{
"type": "CC(ano)",
"value": -0.058
},
{
"type": "SigAno",
"value": 0.781
}
]
},
{
"resolution_limits": [2.861,2.750],
"number_observations": 39651,
"number_observations_unique": 4435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2704
},
{
"type": "R(meas)",
"value": 0.2872
},
{
"type": "R(pim)",
"value": 0.0941
},
{
"type": "I/SigI",
"value": 8.17
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.94
},
{
"type": "CC(1/2)",
"value": 0.972
},
{
"type": "CompletenessAno",
"value": 99.6
},
{
"type": "RedundancyAno",
"value": 4.65
},
{
"type": "CC(ano)",
"value": -0.029
},
{
"type": "SigAno",
"value": 0.792
}
]
},
{
"resolution_limits": [2.750,2.656],
"number_observations": 40469,
"number_observations_unique": 4419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3163
},
{
"type": "R(meas)",
"value": 0.3357
},
{
"type": "R(pim)",
"value": 0.1092
},
{
"type": "I/SigI",
"value": 7.12
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.16
},
{
"type": "CC(1/2)",
"value": 0.957
},
{
"type": "CompletenessAno",
"value": 99.8
},
{
"type": "RedundancyAno",
"value": 4.76
},
{
"type": "CC(ano)",
"value": 0.013
},
{
"type": "SigAno",
"value": 0.809
}
]
},
{
"resolution_limits": [2.656,2.573],
"number_observations": 37964,
"number_observations_unique": 4376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3513
},
{
"type": "R(meas)",
"value": 0.3739
},
{
"type": "R(pim)",
"value": 0.1245
},
{
"type": "I/SigI",
"value": 6.19
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.68
},
{
"type": "CC(1/2)",
"value": 0.948
},
{
"type": "CompletenessAno",
"value": 99.2
},
{
"type": "RedundancyAno",
"value": 4.53
},
{
"type": "CC(ano)",
"value": -0.032
},
{
"type": "SigAno",
"value": 0.784
}
]
},
{
"resolution_limits": [2.573,2.499],
"number_observations": 40368,
"number_observations_unique": 4444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4107
},
{
"type": "R(meas)",
"value": 0.4359
},
{
"type": "R(pim)",
"value": 0.1422
},
{
"type": "I/SigI",
"value": 5.43
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.08
},
{
"type": "CC(1/2)",
"value": 0.929
},
{
"type": "CompletenessAno",
"value": 99.6
},
{
"type": "RedundancyAno",
"value": 4.72
},
{
"type": "CC(ano)",
"value": -0.014
},
{
"type": "SigAno",
"value": 0.773
}
]
},
{
"resolution_limits": [2.499,2.433],
"number_observations": 40980,
"number_observations_unique": 4434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4452
},
{
"type": "R(meas)",
"value": 0.4722
},
{
"type": "R(pim)",
"value": 0.1531
},
{
"type": "I/SigI",
"value": 5.11
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.24
},
{
"type": "CC(1/2)",
"value": 0.903
},
{
"type": "CompletenessAno",
"value": 99.7
},
{
"type": "RedundancyAno",
"value": 4.79
},
{
"type": "CC(ano)",
"value": -0.018
},
{
"type": "SigAno",
"value": 0.776
}
]
},
{
"resolution_limits": [2.433,2.374],
"number_observations": 40822,
"number_observations_unique": 4409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4626
},
{
"type": "R(meas)",
"value": 0.4907
},
{
"type": "R(pim)",
"value": 0.1593
},
{
"type": "I/SigI",
"value": 4.91
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.26
},
{
"type": "CC(1/2)",
"value": 0.905
},
{
"type": "CompletenessAno",
"value": 99.8
},
{
"type": "RedundancyAno",
"value": 4.79
},
{
"type": "CC(ano)",
"value": 0.006
},
{
"type": "SigAno",
"value": 0.787
}
]
},
{
"resolution_limits": [2.374,2.320],
"number_observations": 40829,
"number_observations_unique": 4394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5153
},
{
"type": "R(meas)",
"value": 0.5465
},
{
"type": "R(pim)",
"value": 0.1771
},
{
"type": "I/SigI",
"value": 4.39
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.29
},
{
"type": "CC(1/2)",
"value": 0.877
},
{
"type": "CompletenessAno",
"value": 99.7
},
{
"type": "RedundancyAno",
"value": 4.81
},
{
"type": "CC(ano)",
"value": -0.040
},
{
"type": "SigAno",
"value": 0.769
}
]
},
{
"resolution_limits": [2.320,2.271],
"number_observations": 38983,
"number_observations_unique": 4442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5642
},
{
"type": "R(meas)",
"value": 0.6003
},
{
"type": "R(pim)",
"value": 0.1997
},
{
"type": "I/SigI",
"value": 3.83
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.78
},
{
"type": "CC(1/2)",
"value": 0.851
},
{
"type": "CompletenessAno",
"value": 99.6
},
{
"type": "RedundancyAno",
"value": 4.54
},
{
"type": "CC(ano)",
"value": -0.016
},
{
"type": "SigAno",
"value": 0.757
}
]
},
{
"resolution_limits": [2.271,2.225],
"number_observations": 5927,
"number_observations_unique": 1030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6427
},
{
"type": "R(meas)",
"value": 0.7045
},
{
"type": "R(pim)",
"value": 0.2751
},
{
"type": "I/SigI",
"value": 2.46
},
{
"type": "Completeness",
"value": 23.6
},
{
"type": "Redundancy",
"value": 5.75
},
{
"type": "CC(1/2)",
"value": 0.670
},
{
"type": "CompletenessAno",
"value": 20.5
},
{
"type": "RedundancyAno",
"value": 3.30
},
{
"type": "CC(ano)",
"value": 0.051
},
{
"type": "SigAno",
"value": 0.757
}
]
},
{
"resolution_limits": [2.225,2.183],
"number_observations": 39361,
"number_observations_unique": 4433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6839
},
{
"type": "R(meas)",
"value": 0.7270
},
{
"type": "R(pim)",
"value": 0.2400
},
{
"type": "I/SigI",
"value": 3.18
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.88
},
{
"type": "CC(1/2)",
"value": 0.789
},
{
"type": "CompletenessAno",
"value": 99.1
},
{
"type": "RedundancyAno",
"value": 4.61
},
{
"type": "CC(ano)",
"value": -0.014
},
{
"type": "SigAno",
"value": 0.765
}
]
},
{
"resolution_limits": [2.183,2.144],
"number_observations": 37462,
"number_observations_unique": 4348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.7396
},
{
"type": "R(meas)",
"value": 0.7875
},
{
"type": "R(pim)",
"value": 0.2640
},
{
"type": "I/SigI",
"value": 2.87
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.62
},
{
"type": "CC(1/2)",
"value": 0.792
},
{
"type": "CompletenessAno",
"value": 99.2
},
{
"type": "RedundancyAno",
"value": 4.46
},
{
"type": "CC(ano)",
"value": -0.005
},
{
"type": "SigAno",
"value": 0.733
}
]
},
{
"resolution_limits": [2.144,2.108],
"number_observations": 38601,
"number_observations_unique": 4438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.8765
},
{
"type": "R(meas)",
"value": 0.9326
},
{
"type": "R(pim)",
"value": 0.3098
},
{
"type": "I/SigI",
"value": 2.43
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 8.70
},
{
"type": "CC(1/2)",
"value": 0.673
},
{
"type": "CompletenessAno",
"value": 98.0
},
{
"type": "RedundancyAno",
"value": 4.53
},
{
"type": "CC(ano)",
"value": -0.040
},
{
"type": "SigAno",
"value": 0.742
}
]
}
]
}