Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d2f88b423186cc9c5b5a40e7b5cfe41",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 40.775,
"b": 63.882,
"c": 79.417,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.296],
"number_observations_unique": 9688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations_unique": 478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.794
},
{
"type": "R(meas)",
"value": 0.881
},
{
"type": "R(pim)",
"value": 0.374
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [2.380,2.340],
"number_observations_unique": 474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.626
},
{
"type": "R(meas)",
"value": 0.691
},
{
"type": "R(pim)",
"value": 0.288
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [2.430,2.380],
"number_observations_unique": 463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.564
},
{
"type": "R(meas)",
"value": 0.621
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.480,2.430],
"number_observations_unique": 474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.524
},
{
"type": "R(pim)",
"value": 0.218
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.454
},
{
"type": "R(meas)",
"value": 0.499
},
{
"type": "R(pim)",
"value": 0.204
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [2.590,2.530],
"number_observations_unique": 470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.409
},
{
"type": "R(meas)",
"value": 0.447
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [2.660,2.590],
"number_observations_unique": 474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(meas)",
"value": 0.381
},
{
"type": "R(pim)",
"value": 0.151
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.730,2.660],
"number_observations_unique": 478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.810,2.730],
"number_observations_unique": 469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.900,2.810],
"number_observations_unique": 491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations_unique": 468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.120,3.000],
"number_observations_unique": 482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.260,3.120],
"number_observations_unique": 470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.440,3.260],
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.650,3.440],
"number_observations_unique": 485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.930,3.650],
"number_observations_unique": 484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.330,3.930],
"number_observations_unique": 485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.950,4.330],
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.240,4.950],
"number_observations_unique": 499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,6.240],
"number_observations_unique": 559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}