Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "db41d5ab2bce7c44afc9c0cae1b3d883",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 99.180,
"b": 100.001,
"c": 167.814,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.77490],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.9,1.37],
"number_observations_unique": 348218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.19
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 9.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 27.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.39,1.37],
"number_observations_unique": 17125,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.72
},
{
"type": "R(pim)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 0.4
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 28.5
},
{
"type": "CC(1/2)",
"value": 0.398
}
]
}
]
}