Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "950102f85d688ff37f2abc35ad2f82c6",
"space_group_name": "P 62 2 2",
"unit_cell": {
"a": 90.390,
"b": 90.390,
"c": 101.704,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.24,2.10],
"number_observations_unique": 14868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 20.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.14,2.10],
"number_observations_unique": 702,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.156
},
{
"type": "R(meas)",
"value": 1.257
},
{
"type": "R(pim)",
"value": 0.461
},
{
"type": "I/SigI",
"value": 1.08
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [2.18,2.14],
"number_observations_unique": 714,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.100
},
{
"type": "R(meas)",
"value": 1.182
},
{
"type": "R(pim)",
"value": 0.406
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.462
}
]
},
{
"resolution_limits": [2.22,2.18],
"number_observations_unique": 721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.914
},
{
"type": "R(meas)",
"value": 0.971
},
{
"type": "R(pim)",
"value": 0.311
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.4
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
},
{
"resolution_limits": [2.26,2.22],
"number_observations_unique": 734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.829
},
{
"type": "R(meas)",
"value": 0.873
},
{
"type": "R(pim)",
"value": 0.261
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 10.9
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [2.31,2.26],
"number_observations_unique": 722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.804
},
{
"type": "R(meas)",
"value": 0.840
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.8
},
{
"type": "CC(1/2)",
"value": 0.825
}
]
},
{
"resolution_limits": [2.37,2.31],
"number_observations_unique": 722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.688
},
{
"type": "R(meas)",
"value": 0.714
},
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 14.9
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [2.42,2.37],
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.585
},
{
"type": "R(pim)",
"value": 0.138
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.6
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.49,2.42],
"number_observations_unique": 733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "R(meas)",
"value": 0.529
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 22.6
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [2.56,2.49],
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.453
},
{
"type": "R(meas)",
"value": 0.462
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 26.3
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.65,2.56],
"number_observations_unique": 724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.374
},
{
"type": "R(meas)",
"value": 0.381
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 26.1
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.74,2.65],
"number_observations_unique": 746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 25.8
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.85,2.74],
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.274
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 24.8
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.98,2.85],
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 24.4
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.14,2.98],
"number_observations_unique": 749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 26.1
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.33,3.14],
"number_observations_unique": 748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 25.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.59,3.33],
"number_observations_unique": 749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 23.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.95,3.59],
"number_observations_unique": 759,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 25.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.52,3.95],
"number_observations_unique": 770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 24.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.70,4.52],
"number_observations_unique": 786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 24.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [45.24,5.70],
"number_observations_unique": 861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 21.5
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}