Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bd18c207f25ea1fd35535c43d6ca1cdf",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 179.802,
"b": 179.802,
"c": 179.802,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.55000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.70],
"number_observations_unique": 12948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.293
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 71.4
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.75,2.70],
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.644
},
{
"type": "R(meas)",
"value": 1.656
},
{
"type": "R(pim)",
"value": 0.190
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 74.5
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [2.80,2.75],
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.524
},
{
"type": "R(meas)",
"value": 1.534
},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 74.9
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [2.85,2.80],
"number_observations_unique": 360,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.271
},
{
"type": "R(meas)",
"value": 1.279
},
{
"type": "R(pim)",
"value": 0.148
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 73.8
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [2.91,2.85],
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.048
},
{
"type": "R(meas)",
"value": 1.055
},
{
"type": "R(pim)",
"value": 0.122
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 73.5
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.97,2.91],
"number_observations_unique": 349,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.076
},
{
"type": "R(meas)",
"value": 1.084
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 70.6
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [3.04,2.97],
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.902
},
{
"type": "R(meas)",
"value": 0.909
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 70.6
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.12,3.04],
"number_observations_unique": 366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.724
},
{
"type": "R(meas)",
"value": 0.728
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 75.5
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.20,3.12],
"number_observations_unique": 340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.656
},
{
"type": "R(meas)",
"value": 0.661
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 74.3
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [3.30,3.20],
"number_observations_unique": 371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.569
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 70.2
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.40,3.30],
"number_observations_unique": 347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 74.2
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.52,3.40],
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 76.5
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.66,3.52],
"number_observations_unique": 369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "R(meas)",
"value": 0.312
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 75.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.83,3.66],
"number_observations_unique": 357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.286
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 74.5
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.03,3.83],
"number_observations_unique": 358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 71.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.29,4.03],
"number_observations_unique": 377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 68.3
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.62,4.29],
"number_observations_unique": 364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 72.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.08,4.62],
"number_observations_unique": 378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 68.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.81,5.08],
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 72.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.32,5.81],
"number_observations_unique": 386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 65.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,7.32],
"number_observations_unique": 445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 56.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}