Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "224497e7ac4cafa637b8bcd320766ccb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 88.205,
"b": 100.147,
"c": 96.606,
"alpha": 90.000,
"beta": 112.335,
"gamma": 90.000
},
"wavelengths": [0.87000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.68,3.50],
"number_observations_unique": 21515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 5.2
},
{
"type": "CC(1/2)",
"value": 0.98
}
]
},
"refln_shells": [
{
"resolution_limits": [3.62,3.50],
"number_observations_unique": 4173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.94
},
{
"type": "R(meas)",
"value": 1.06
},
{
"type": "R(pim)",
"value": 0.62
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "CC(1/2)",
"value": 0.54
}
]
}
]
}