Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "0431a2120b8b4cceec9f78d730ba525b",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 105.582,
"b": 105.582,
"c": 304.563,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.41],
"number_observations_unique": 66485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 19.2
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
"refln_shells": [
{
"resolution_limits": [2.45,2.41],
"number_observations_unique": 3182,
"quality_factors": [
{
"type": "R(merge)",
"value": 1
},
{
"type": "R(meas)",
"value": 0.983
},
{
"type": "R(pim)",
"value": 0.340
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 0.772
}
]
},
{
"resolution_limits": [2.50,2.45],
"number_observations_unique": 3195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.929
},
{
"type": "R(meas)",
"value": 0.874
},
{
"type": "R(pim)",
"value": 0.307
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.752
}
]
},
{
"resolution_limits": [2.54,2.50],
"number_observations_unique": 3254,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.825
},
{
"type": "R(meas)",
"value": 0.764
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [2.60,2.54],
"number_observations_unique": 3307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.721
},
{
"type": "R(meas)",
"value": 0.673
},
{
"type": "R(pim)",
"value": 0.241
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [2.65,2.60],
"number_observations_unique": 3291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "R(meas)",
"value": 0.534
},
{
"type": "R(pim)",
"value": 0.213
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.4
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [2.71,2.65],
"number_observations_unique": 3294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "R(meas)",
"value": 0.460
},
{
"type": "R(pim)",
"value": 0.169
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [2.78,2.71],
"number_observations_unique": 3292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "R(meas)",
"value": 0.367
},
{
"type": "R(pim)",
"value": 0.145
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.4
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [2.86,2.78],
"number_observations_unique": 3303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.301
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.94,2.86],
"number_observations_unique": 3306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [3.04,2.94],
"number_observations_unique": 3302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.14,3.04],
"number_observations_unique": 3299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.27,3.14],
"number_observations_unique": 3339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.42,3.27],
"number_observations_unique": 3305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.60,3.42],
"number_observations_unique": 3306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.83,3.60],
"number_observations_unique": 3301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.12,3.83],
"number_observations_unique": 3324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.53,4.12],
"number_observations_unique": 3340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 8.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.19,4.53],
"number_observations_unique": 3388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.54,5.19],
"number_observations_unique": 3480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.00,6.54],
"number_observations_unique": 3677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 8.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}