Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "314ea443ee0d97964ad95a3db2dd82f5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.843,
"b": 56.387,
"c": 126.148,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.253,1.550],
"number_observations_unique": 47198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations_unique": 2290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.953
},
{
"type": "R(meas)",
"value": 0.962
},
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
},
{
"resolution_limits": [1.610,1.580],
"number_observations_unique": 2335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "R(meas)",
"value": 0.894
},
{
"type": "R(pim)",
"value": 0.346
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [1.640,1.610],
"number_observations_unique": 2315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.836
},
{
"type": "R(meas)",
"value": 0.811
},
{
"type": "R(pim)",
"value": 0.312
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [1.670,1.640],
"number_observations_unique": 2322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.764
},
{
"type": "R(meas)",
"value": 0.687
},
{
"type": "R(pim)",
"value": 0.269
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.900
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [1.710,1.670],
"number_observations_unique": 2336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "R(meas)",
"value": 0.530
},
{
"type": "R(pim)",
"value": 0.223
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.917
}
]
},
{
"resolution_limits": [1.750,1.710],
"number_observations_unique": 2297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.503
},
{
"type": "R(meas)",
"value": 0.424
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [1.790,1.750],
"number_observations_unique": 2363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.403
},
{
"type": "R(meas)",
"value": 0.338
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.840,1.790],
"number_observations_unique": 2317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.890,1.840],
"number_observations_unique": 2355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.950,1.890],
"number_observations_unique": 2333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 2330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.100,2.020],
"number_observations_unique": 2349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.200,2.100],
"number_observations_unique": 2353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.320,2.200],
"number_observations_unique": 2353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.460,2.320],
"number_observations_unique": 2382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.650,2.460],
"number_observations_unique": 2372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.920,2.650],
"number_observations_unique": 2376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.340,2.920],
"number_observations_unique": 2394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.210,3.340],
"number_observations_unique": 2439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50.000,4.210],
"number_observations_unique": 2587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}