Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bf1d4fcca69d7bd44104d2b22a3b67cf",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 77.422,
"b": 153.254,
"c": 140.513,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.50],
"number_observations": 1481276,
"number_observations_unique": 133196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.53,1.50],
"number_observations_unique": 6589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.971
},
{
"type": "R(meas)",
"value": 1.026
},
{
"type": "R(pim)",
"value": 0.328
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.3
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [1.55,1.53],
"number_observations_unique": 6606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.824
},
{
"type": "R(meas)",
"value": 0.866
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.6
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [1.58,1.55],
"number_observations_unique": 6602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.707
},
{
"type": "R(meas)",
"value": 0.741
},
{
"type": "R(pim)",
"value": 0.219
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [1.62,1.58],
"number_observations_unique": 6610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.646
},
{
"type": "R(meas)",
"value": 0.677
},
{
"type": "R(pim)",
"value": 0.200
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [1.65,1.62],
"number_observations_unique": 6630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.554
},
{
"type": "R(meas)",
"value": 0.581
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.3
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [1.69,1.65],
"number_observations_unique": 6585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "R(pim)",
"value": 0.148
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.2
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [1.73,1.69],
"number_observations_unique": 6597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.384
},
{
"type": "R(meas)",
"value": 0.403
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.0
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [1.78,1.73],
"number_observations_unique": 6623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.3
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.83,1.78],
"number_observations_unique": 6635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.254
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.89,1.83],
"number_observations_unique": 6612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.96,1.89],
"number_observations_unique": 6629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.04,1.96],
"number_observations_unique": 6649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.7
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.13,2.04],
"number_observations_unique": 6645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.5
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.24,2.13],
"number_observations_unique": 6640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.38,2.24],
"number_observations_unique": 6676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.56,2.38],
"number_observations_unique": 6667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.82,2.56],
"number_observations_unique": 6694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.23,2.82],
"number_observations_unique": 6747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.07,3.23],
"number_observations_unique": 6765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.00,4.07],
"number_observations_unique": 6995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 10.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}