Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "53967c7f7ba5ee84463123110897e342",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 44.336,
"b": 76.243,
"c": 91.933,
"alpha": 90.000,
"beta": 97.107,
"gamma": 90.000
},
"wavelengths": [0.87310],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.50,1.35],
"number_observations_unique": 66443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.4
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.37,1.35],
"number_observations_unique": 3295,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.423
},
{
"type": "R(pim)",
"value": 0.879
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "CC(1/2)",
"value": 0.575
}
]
}
]
}