Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "391df2f1d5cea09568e851ec939aaf2e",
"space_group_name": "F 2 3",
"unit_cell": {
"a": 178.557,
"b": 178.557,
"c": 178.557,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.23,2.24],
"number_observations_unique": 22737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 22.37
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 20
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [2.3,2.24],
"number_observations_unique": 1692,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.268
},
{
"type": "R(meas)",
"value": 1.306
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [2.36,2.30],
"number_observations_unique": 1578,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.233
},
{
"type": "R(meas)",
"value": 1.271
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [2.43,2.36],
"number_observations_unique": 1616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.969
},
{
"type": "R(meas)",
"value": 0.999
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [2.5,2.43],
"number_observations_unique": 1511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.745
},
{
"type": "R(meas)",
"value": 0.769
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [2.59,2.50],
"number_observations_unique": 1500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.567
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [2.68,2.59],
"number_observations_unique": 1453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.44
},
{
"type": "R(meas)",
"value": 0.453
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.78,2.68],
"number_observations_unique": 1400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.343
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.89,2.78],
"number_observations_unique": 1333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.02,2.89],
"number_observations_unique": 1277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.17,3.02],
"number_observations_unique": 1239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.34,3.17],
"number_observations_unique": 1181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.54,3.34],
"number_observations_unique": 1097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.79,3.54],
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.09,3.79],
"number_observations_unique": 990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.48,4.09],
"number_observations_unique": 895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.01,4.48],
"number_observations_unique": 819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.78,5.01],
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.08,5.78],
"number_observations_unique": 616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.02,7.08],
"number_observations_unique": 490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
{
"resolution_limits": [10.05,10.02],
"number_observations_unique": 270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
}
]
}