Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "61e564b67031cce95a0ffcafdccea9ce",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 209.023,
"b": 113.386,
"c": 189.604,
"alpha": 90.00,
"beta": 91.33,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [189.553,2.089],
"number_observations": 1230177,
"number_observations_unique": 173394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 93.5
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.333,2.089],
"number_observations": 60240,
"number_observations_unique": 8670,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.192
},
{
"type": "R(pim)",
"value": 0.481
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.655
}
]
},
{
"resolution_limits": [189.553,6.560],
"number_observations": 61030,
"number_observations_unique": 8670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 38.8
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}