Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c67b37fec9cc2533ff48f7474bd35b47",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 73.067,
"b": 64.943,
"c": 112.206,
"alpha": 90.000,
"beta": 109.327,
"gamma": 90.000
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.58],
"number_observations_unique": 29486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 6.08
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
"refln_shells": [
{
"resolution_limits": [2.67,2.58],
"number_observations_unique": 2940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.542
},
{
"type": "R(meas)",
"value": 0.655
},
{
"type": "R(pim)",
"value": 0.361
},
{
"type": "I/SigI",
"value": 1.46
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
}
]
}