Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "597e431f1c94b2dc9d0c7721cccf139f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 128.197,
"b": 206.452,
"c": 116.673,
"alpha": 90.00,
"beta": 110.28,
"gamma": 90.00
},
"wavelengths": [0.97780],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [109.440,1.98],
"number_observations_unique": 197246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations_unique": 9738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [109.440,10.840],
"number_observations_unique": 1234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}