Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5cbbecd63f43120c6b73958573b31415",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.826,
"b": 62.679,
"c": 147.217,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.63,1.34],
"number_observations": 1031319,
"number_observations_unique": 87531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.36,1.34],
"number_observations": 22800,
"number_observations_unique": 3354,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.286
},
{
"type": "R(meas)",
"value": 2.480
},
{
"type": "R(pim)",
"value": 0.931
},
{
"type": "I/SigI",
"value": 0.2
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
}
]
}