Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "753b27a355382ae2d313579eff33741d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.12,
"b": 73.74,
"c": 52.36,
"alpha": 90.00,
"beta": 109.17,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.87,1.13],
"number_observations": 395757,
"number_observations_unique": 118512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 8.28
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.2,1.13],
"number_observations": 59614,
"number_observations_unique": 18882,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.538
},
{
"type": "R(meas)",
"value": 1.854
},
{
"type": "I/SigI",
"value": 0.66
},
{
"type": "CC(1/2)",
"value": 0.314
}
]
},
{
"resolution_limits": [1.28,1.20],
"number_observations": 58319,
"number_observations_unique": 17884,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.147
},
{
"type": "R(meas)",
"value": 1.375
},
{
"type": "I/SigI",
"value": 0.96
},
{
"type": "CC(1/2)",
"value": 0.416
}
]
},
{
"resolution_limits": [1.38,1.28],
"number_observations": 55446,
"number_observations_unique": 16772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.741
},
{
"type": "R(meas)",
"value": 0.886
},
{
"type": "I/SigI",
"value": 1.52
},
{
"type": "CC(1/2)",
"value": 0.626
}
]
},
{
"resolution_limits": [1.51,1.38],
"number_observations": 53147,
"number_observations_unique": 15464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "R(meas)",
"value": 0.491
},
{
"type": "I/SigI",
"value": 2.85
},
{
"type": "CC(1/2)",
"value": 0.846
}
]
},
{
"resolution_limits": [1.69,1.51],
"number_observations": 46724,
"number_observations_unique": 14011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.21
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 5.38
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [1.95,1.69],
"number_observations": 43845,
"number_observations_unique": 12404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 11.35
},
{
"type": "CC(1/2)",
"value": 0.99
}
]
},
{
"resolution_limits": [2.39,1.95],
"number_observations": 34378,
"number_observations_unique": 10357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 20.60
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.38,2.39],
"number_observations": 28944,
"number_observations_unique": 8189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 31.67
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}