Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b39a9756f1b05915078d6103a46c8b7",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 42.924,
"b": 85.580,
"c": 63.762,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.0,1.7],
"number_observations_unique": 26541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.2
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.759
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.809
}
]
},
{
"resolution_limits": [1.760,1.730],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.609
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [1.790,1.760],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.499
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [1.830,1.790],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [1.870,1.830],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.910,1.870],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [1.960,1.910],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.020,1.960],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.070,2.020],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.140,2.070],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.220,2.140],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.310,2.220],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.410,2.310],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.540,2.410],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.700,2.540],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.910,2.700],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.200,2.910],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.660,3.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.610,3.660],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.000,4.610],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}