Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e27d3ca6dd438538fa7f30e0a6b9c7e",
"space_group_name": "P 1",
"unit_cell": {
"a": 86.353,
"b": 107.811,
"c": 107.931,
"alpha": 62.16,
"beta": 71.02,
"gamma": 90.77
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.60],
"number_observations_unique": 88890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 91.1
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.90
}
]
},
"refln_shells": [
{
"resolution_limits": [2.64,2.60],
"number_observations_unique": 3914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.526
},
{
"type": "R(meas)",
"value": 0.637
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 79.3
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.65
}
]
}
]
}