Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2491d95f2579ee8e7e5b72c83dd62e24",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.547,
"b": 67.886,
"c": 40.208,
"alpha": 90.00,
"beta": 93.07,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.56,1.20],
"number_observations_unique": 63173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 39.1
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.22,1.20],
"number_observations_unique": 2100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.286
},
{
"type": "R(pim)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 62.0
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
}
]
}