Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "91f18a9699c3aae6cdc1f2c0192bec26",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 87.785,
"b": 81.954,
"c": 93.298,
"alpha": 90.00,
"beta": 108.03,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.58,1.58],
"number_observations": 594874,
"number_observations_unique": 86147,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 11.45
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.58,4.71],
"number_observations": 23165,
"number_observations_unique": 3343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 50.93
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.58,3.34],
"number_observations": 40960,
"number_observations_unique": 5903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 45.83
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.58,2.73],
"number_observations": 51903,
"number_observations_unique": 7606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 27.98
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.82
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.58,2.36],
"number_observations": 63726,
"number_observations_unique": 9036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 15.97
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.05
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [44.58,2.11],
"number_observations": 71798,
"number_observations_unique": 10169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 9.35
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.06
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [44.58,1.93],
"number_observations": 76497,
"number_observations_unique": 11210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.389
},
{
"type": "R(meas)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 4.66
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.82
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [44.58,1.79],
"number_observations": 83781,
"number_observations_unique": 12187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.91
},
{
"type": "R(meas)",
"value": 0.984
},
{
"type": "I/SigI",
"value": 2.01
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [44.58,1.67],
"number_observations": 90422,
"number_observations_unique": 13096,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.936
},
{
"type": "R(meas)",
"value": 2.093
},
{
"type": "I/SigI",
"value": 0.88
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [44.58,1.58],
"number_observations": 92622,
"number_observations_unique": 13597,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.683
},
{
"type": "R(meas)",
"value": 3.986
},
{
"type": "I/SigI",
"value": 0.37
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 6.81
},
{
"type": "CC(1/2)",
"value": 0.226
}
]
}
]
}