Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0a14c0841e6e7dbbd220395f14919eba",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 106.666,
"b": 106.666,
"c": 304.022,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.300],
"number_observations_unique": 113739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.327
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 3859,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.713
},
{
"type": "R(meas)",
"value": 3.813
},
{
"type": "R(pim)",
"value": 0.861
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.561
}
]
},
{
"resolution_limits": [2.380,2.340],
"number_observations_unique": 3867,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.233
},
{
"type": "R(meas)",
"value": 3.318
},
{
"type": "R(pim)",
"value": 0.739
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.500
},
{
"type": "CC(1/2)",
"value": 0.448
}
]
},
{
"resolution_limits": [2.430,2.380],
"number_observations_unique": 3865,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.912
},
{
"type": "R(meas)",
"value": 2.988
},
{
"type": "R(pim)",
"value": 0.664
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.600
},
{
"type": "CC(1/2)",
"value": 0.718
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 3869,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.492
},
{
"type": "R(meas)",
"value": 2.557
},
{
"type": "R(pim)",
"value": 0.568
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.768
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 3867,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.163
},
{
"type": "R(meas)",
"value": 2.219
},
{
"type": "R(pim)",
"value": 0.492
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 3867,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.037
},
{
"type": "R(meas)",
"value": 2.089
},
{
"type": "R(pim)",
"value": 0.463
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [2.660,2.590],
"number_observations_unique": 3841,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.886
},
{
"type": "R(meas)",
"value": 1.935
},
{
"type": "R(pim)",
"value": 0.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations_unique": 3888,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.670
},
{
"type": "R(meas)",
"value": 1.714
},
{
"type": "R(pim)",
"value": 0.383
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.600
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [2.810,2.730],
"number_observations_unique": 3874,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.525
},
{
"type": "R(meas)",
"value": 1.569
},
{
"type": "R(pim)",
"value": 0.365
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.400
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [2.900,2.810],
"number_observations_unique": 3894,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.416
},
{
"type": "R(meas)",
"value": 1.449
},
{
"type": "R(pim)",
"value": 0.304
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.000
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 3876,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.213
},
{
"type": "R(meas)",
"value": 1.240
},
{
"type": "R(pim)",
"value": 0.257
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.500
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 3902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.963
},
{
"type": "R(meas)",
"value": 0.985
},
{
"type": "R(pim)",
"value": 0.205
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.400
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.260,3.120],
"number_observations_unique": 3911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.733
},
{
"type": "R(meas)",
"value": 0.750
},
{
"type": "R(pim)",
"value": 0.157
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.440,3.260],
"number_observations_unique": 3939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "R(meas)",
"value": 0.537
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.900
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 3912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.930,3.650],
"number_observations_unique": 3946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.330,3.930],
"number_observations_unique": 3953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.950,4.330],
"number_observations_unique": 4010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.240,4.950],
"number_observations_unique": 4078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,6.240],
"number_observations_unique": 4311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}