Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12e7641592231fd25d0da76c2d83cfa3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 67.100,
"b": 57.135,
"c": 189.443,
"alpha": 90.00,
"beta": 92.35,
"gamma": 90.00
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [94.642,2.00],
"number_observations_unique": 97294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [94.64,10.95],
"number_observations_unique": 653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Redundancy",
"value": 12.2
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.03,2.00],
"number_observations_unique": 4797,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.544
},
{
"type": "R(meas)",
"value": 1.674
},
{
"type": "R(pim)",
"value": 0.642
},
{
"type": "Redundancy",
"value": 13.0
},
{
"type": "CC(1/2)",
"value": 0.739
}
]
}
]
}