Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "26ee24467b4da6be83cac37b4aa36d8d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.013,
"b": 43.068,
"c": 79.228,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95397],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.61,1.06],
"number_observations_unique": 55793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.5
},
{
"type": "Completeness",
"value": 93.3
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [39.61,5.81],
"number_observations_unique": 444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.08,1.06],
"number_observations_unique": 1838,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.750
},
{
"type": "R(meas)",
"value": 2.199
},
{
"type": "R(pim)",
"value": 1.301
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.340
}
]
}
]
}