Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "75af2f800abf9d1fdd40d9fbff46a4b1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 86.689,
"b": 57.243,
"c": 64.794,
"alpha": 90.00,
"beta": 94.91,
"gamma": 90.00
},
"wavelengths": [0.92201],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.27,1.19],
"number_observations": 448515,
"number_observations_unique": 83867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 18.3
},
{
"type": "Completeness",
"value": 83.0
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.21,1.19],
"number_observations": 1537,
"number_observations_unique": 1151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.927
},
{
"type": "R(meas)",
"value": 1.280
},
{
"type": "R(pim)",
"value": 0.879
},
{
"type": "I/SigI",
"value": 0.4
},
{
"type": "Redundancy",
"value": 1.3
},
{
"type": "CC(1/2)",
"value": 0.306
}
]
}
]
}