Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f40e4eee0ceddc79e75a0d27eae415aa",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 144.732,
"b": 157.683,
"c": 244.044,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.860,2.850],
"number_observations_unique": 130632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "R(meas)",
"value": 0.319
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.850],
"number_observations_unique": 6399,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.146
},
{
"type": "R(meas)",
"value": 2.300
},
{
"type": "R(pim)",
"value": 0.823
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.552
}
]
},
{
"resolution_limits": [48.850,15.610],
"number_observations_unique": 894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
}
]
}