Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "007bca6e3d93609fb6bae7fa6d273cda",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.758,
"b": 88.758,
"c": 39.534,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.110,1.050],
"number_observations": 899930,
"number_observations_unique": 142643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 14.290
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.309
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.050],
"number_observations": 142643,
"number_observations_unique": 22858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.706
},
{
"type": "R(meas)",
"value": 0.772
},
{
"type": "I/SigI",
"value": 1.870
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.240
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [1.190,1.120],
"number_observations": 138112,
"number_observations_unique": 21565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "R(meas)",
"value": 0.453
},
{
"type": "I/SigI",
"value": 3.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.404
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [1.290,1.190],
"number_observations": 130095,
"number_observations_unique": 20167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.260
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 5.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.451
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [1.410,1.290],
"number_observations": 121590,
"number_observations_unique": 18554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 8.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.553
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [1.580,1.410],
"number_observations": 108546,
"number_observations_unique": 16779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 14.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.469
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.820,1.580],
"number_observations": 93049,
"number_observations_unique": 14828,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 23.680
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.275
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.230,1.820],
"number_observations": 73723,
"number_observations_unique": 12576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 32.910
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.862
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.150,2.230],
"number_observations": 58478,
"number_observations_unique": 9788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 39.810
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.974
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [36.110,3.150],
"number_observations": 33694,
"number_observations_unique": 5528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 43.870
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.095
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}