Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9a07f04868b330593ba1da7a1d43cafb",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 89.215,
"b": 89.215,
"c": 81.090,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.648],
"number_observations_unique": 45392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 6.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.69,1.65],
"number_observations_unique": 2977,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.113
},
{
"type": "R(meas)",
"value": 1.142
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.9
},
{
"type": "CC(1/2)",
"value": 0.853
}
]
},
{
"resolution_limits": [1.73,1.69],
"number_observations_unique": 2981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.867
},
{
"type": "R(meas)",
"value": 0.890
},
{
"type": "R(pim)",
"value": 0.201
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.5
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [1.78,1.73],
"number_observations_unique": 3005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.603
},
{
"type": "R(meas)",
"value": 0.620
},
{
"type": "R(pim)",
"value": 0.143
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.7
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [1.83,1.78],
"number_observations_unique": 2971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.468
},
{
"type": "R(meas)",
"value": 0.481
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.4
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [1.89,1.83],
"number_observations_unique": 3012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.366
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.5
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.96,1.89],
"number_observations_unique": 2976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.345
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 20.0
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.03,1.96],
"number_observations_unique": 3018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.8
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.13,2.03],
"number_observations_unique": 3023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.5
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.24,2.13],
"number_observations_unique": 3015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.1
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.38,2.24],
"number_observations_unique": 2992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.56,2.38],
"number_observations_unique": 3042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.82,2.56],
"number_observations_unique": 3028,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.23,2.82],
"number_observations_unique": 3056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.07,3.23],
"number_observations_unique": 3095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,4.07],
"number_observations_unique": 3201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 16.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}