Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c84f0c8e8bff7d5d671baf03c517520e",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 179.765,
"b": 179.765,
"c": 179.765,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.55000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.099],
"number_observations_unique": 27465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.14,2.10],
"number_observations_unique": 734,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.8
},
{
"type": "R(meas)",
"value": 0.99
},
{
"type": "R(pim)",
"value": 0.295
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.759
}
]
},
{
"resolution_limits": [2.18,2.14],
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.577
},
{
"type": "R(meas)",
"value": 0.99
},
{
"type": "R(pim)",
"value": 0.215
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [2.22,2.18],
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.490
},
{
"type": "R(meas)",
"value": 0.99
},
{
"type": "R(pim)",
"value": 0.194
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [2.26,2.22],
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.356
},
{
"type": "R(meas)",
"value": 0.99
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [2.31,2.26],
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.152
},
{
"type": "R(meas)",
"value": 0.99
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.37,2.31],
"number_observations_unique": 725,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.034
},
{
"type": "R(meas)",
"value": 0.99
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [2.42,2.37],
"number_observations_unique": 740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.912
},
{
"type": "R(meas)",
"value": 0.918
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.49,2.42],
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.804
},
{
"type": "R(meas)",
"value": 0.810
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.56,2.49],
"number_observations_unique": 745,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.677
},
{
"type": "R(meas)",
"value": 0.682
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.65,2.56],
"number_observations_unique": 730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "R(meas)",
"value": 0.579
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.74,2.65],
"number_observations_unique": 750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "R(meas)",
"value": 0.528
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.85,2.74],
"number_observations_unique": 746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "R(meas)",
"value": 0.440
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.98,2.85],
"number_observations_unique": 754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.376
},
{
"type": "R(meas)",
"value": 0.379
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.14,2.98],
"number_observations_unique": 747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.33,3.14],
"number_observations_unique": 766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.59,3.33],
"number_observations_unique": 750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.95,3.59],
"number_observations_unique": 781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.52,3.95],
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.70,4.52],
"number_observations_unique": 798,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10,5.70],
"number_observations_unique": 886,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}