Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "403cc8bcba8f8446eb4f76e66c24e4fb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 88.410,
"b": 81.953,
"c": 93.571,
"alpha": 90.00,
"beta": 108.39,
"gamma": 90.00
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.61,1.44],
"number_observations": 790856,
"number_observations_unique": 114410,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.06
},
{
"type": "I/SigI",
"value": 12.04
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.91
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [44.61,4.30],
"number_observations": 30244,
"number_observations_unique": 4382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 47.78
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [44.61,3.05],
"number_observations": 54450,
"number_observations_unique": 7848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 43.65
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.61,2.49],
"number_observations": 70796,
"number_observations_unique": 10095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 31.12
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.01
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.61,2.16],
"number_observations": 84337,
"number_observations_unique": 11903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 20.51
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.09
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [44.61,1.93],
"number_observations": 92323,
"number_observations_unique": 13525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 10.88
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.83
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [44.61,1.76],
"number_observations": 102474,
"number_observations_unique": 14893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 4.64
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.88
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [44.61,1.63],
"number_observations": 112047,
"number_observations_unique": 16174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.665
},
{
"type": "R(meas)",
"value": 0.718
},
{
"type": "I/SigI",
"value": 1.98
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.93
},
{
"type": "CC(1/2)",
"value": 0.889
}
]
},
{
"resolution_limits": [44.61,1.53],
"number_observations": 120596,
"number_observations_unique": 17343,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.376
},
{
"type": "R(meas)",
"value": 1.485
},
{
"type": "I/SigI",
"value": 0.83
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.95
},
{
"type": "CC(1/2)",
"value": 0.668
}
]
},
{
"resolution_limits": [44.61,1.44],
"number_observations": 123589,
"number_observations_unique": 18247,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.868
},
{
"type": "R(meas)",
"value": 3.1
},
{
"type": "I/SigI",
"value": 0.26
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.77
},
{
"type": "CC(1/2)",
"value": 0.309
}
]
}
]
}