Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f00ac3b61b173237d50d680795069e2e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 68.561,
"b": 89.261,
"c": 116.484,
"alpha": 90.000,
"beta": 101.725,
"gamma": 90.000
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.05,1.90],
"number_observations_unique": 107339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 13.0
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [114.05,10.41],
"number_observations_unique": 696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 41.7
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.93,1.90],
"number_observations_unique": 5299,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.241
},
{
"type": "R(meas)",
"value": 1.454
},
{
"type": "R(pim)",
"value": 0.752
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.3
},
{
"type": "CC(1/2)",
"value": 0.739
}
]
}
]
}