Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e8432a7a833f4b4869ce9527aeaa5f9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 195.186,
"b": 84.497,
"c": 195.482,
"alpha": 90.000,
"beta": 119.914,
"gamma": 90.000
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.945,2.40],
"number_observations_unique": 216213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "R(pim)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [48.90,13.15],
"number_observations_unique": 1414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.44,2.40],
"number_observations_unique": 10715,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.933
},
{
"type": "R(meas)",
"value": 2.277
},
{
"type": "R(pim)",
"value": 1.194
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.412
}
]
}
]
}