Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3c83bdd466f67855324520c4d44b6867",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.500,
"b": 67.885,
"c": 40.253,
"alpha": 90.00,
"beta": 93.24,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.98,1.25],
"number_observations_unique": 56732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 33.0
},
{
"type": "Completeness",
"value": 96.5
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.27,1.25],
"number_observations_unique": 1904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 6.4
},
{
"type": "Completeness",
"value": 65.0
},
{
"type": "Redundancy",
"value": 4.3
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
}
]
}