Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd4ff3a85cee8cdba9780236b67d6d2c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 136.731,
"b": 52.295,
"c": 71.095,
"alpha": 90.00,
"beta": 117.03,
"gamma": 90.00
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,3.0],
"number_observations_unique": 8713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 94.8
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.16,3.0],
"number_observations_unique": 1348,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.182
},
{
"type": "R(meas)",
"value": 1.283
},
{
"type": "R(pim)",
"value": 0.494
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "CC(1/2)",
"value": 0.678
}
]
}
]
}