Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9493bbaae96f28cb33045a1f04c24109",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 91.342,
"b": 72.182,
"c": 43.543,
"alpha": 90.000,
"beta": 96.087,
"gamma": 90.000
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.92,1.50],
"number_observations_unique": 44966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 14.0
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 13.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [27.92,1.53],
"number_observations_unique": 284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Redundancy",
"value": 14.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.53,1.50],
"number_observations_unique": 2227,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.003
},
{
"type": "R(meas)",
"value": 1.130
},
{
"type": "R(pim)",
"value": 0.512
},
{
"type": "Redundancy",
"value": 9.2
},
{
"type": "CC(1/2)",
"value": 0.657
}
]
}
]
}