Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4f769040921f6a0b74da7fba672b9d27",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 68.51,
"b": 68.51,
"c": 104.86,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20,2.9],
"number_observations_unique": 27529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.436
},
{
"type": "R(meas)",
"value": 0.534
},
{
"type": "R(pim)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 2.43
},
{
"type": "Completeness",
"value": 90
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
},
"refln_shells": [
{
"resolution_limits": [2.98,2.90],
"number_observations_unique": 2085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.926
},
{
"type": "R(meas)",
"value": 1.133
},
{
"type": "I/SigI",
"value": 1.14
},
{
"type": "Completeness",
"value": 90.4
},
{
"type": "CC(1/2)",
"value": 0.384
}
]
}
]
}