Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa8e84e7fc27fd6c02680ab04f53c524",
"space_group_name": "P 63 2 2",
"unit_cell": {
"a": 169.877,
"b": 169.877,
"c": 54.639,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.75],
"number_observations_unique": 12372,
"quality_factors": [
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.0
}
]
},
"refln_shells": [
{
"resolution_limits": [2.80,2.75],
"number_observations_unique": 594,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.232
},
{
"type": "R(meas)",
"value": 3.290
},
{
"type": "R(pim)",
"value": 0.609
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.8
},
{
"type": "CC(1/2)",
"value": 0.526
}
]
},
{
"resolution_limits": [2.85,2.80],
"number_observations_unique": 608,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.867
},
{
"type": "R(meas)",
"value": 2.919
},
{
"type": "R(pim)",
"value": 0.540
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.7
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [2.90,2.85],
"number_observations_unique": 601,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.475
},
{
"type": "R(meas)",
"value": 2.519
},
{
"type": "R(pim)",
"value": 0.467
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.6
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [2.96,2.90],
"number_observations_unique": 607,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.255
},
{
"type": "R(meas)",
"value": 2.297
},
{
"type": "R(pim)",
"value": 0.431
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.0
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [3.03,2.96],
"number_observations_unique": 608,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.066
},
{
"type": "R(meas)",
"value": 2.105
},
{
"type": "R(pim)",
"value": 0.398
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 26.5
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [3.10,3.03],
"number_observations_unique": 589,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.882
},
{
"type": "R(meas)",
"value": 1.918
},
{
"type": "R(pim)",
"value": 0.365
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 26.2
},
{
"type": "CC(1/2)",
"value": 0.775
}
]
},
{
"resolution_limits": [3.17,3.10],
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.568
},
{
"type": "R(meas)",
"value": 1.600
},
{
"type": "R(pim)",
"value": 0.314
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 25.0
},
{
"type": "CC(1/2)",
"value": 0.870
}
]
},
{
"resolution_limits": [3.26,3.17],
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.317
},
{
"type": "R(meas)",
"value": 1.348
},
{
"type": "R(pim)",
"value": 0.284
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 22.1
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [3.36,3.26],
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.087
},
{
"type": "R(meas)",
"value": 1.109
},
{
"type": "R(pim)",
"value": 0.212
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 26.4
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [3.46,3.36],
"number_observations_unique": 602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.937
},
{
"type": "R(meas)",
"value": 0.953
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 29.1
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [3.59,3.46],
"number_observations_unique": 616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.660
},
{
"type": "R(meas)",
"value": 0.672
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 29.3
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.73,3.59],
"number_observations_unique": 600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.569
},
{
"type": "R(meas)",
"value": 0.579
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 28.8
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.90,3.73],
"number_observations_unique": 621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.485
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.9
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.11,3.90],
"number_observations_unique": 613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 26.9
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.36,4.11],
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 24.6
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.70,4.36],
"number_observations_unique": 625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 21.2
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.17,4.70],
"number_observations_unique": 626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 22.8
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.92,5.17],
"number_observations_unique": 642,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 27.0
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [7.46,5.92],
"number_observations_unique": 651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 25.4
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.00,7.46],
"number_observations_unique": 716,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}