Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53962cafa1ddf9067b2cbf7df8e08826",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.173,
"b": 72.752,
"c": 70.919,
"alpha": 90.00,
"beta": 96.19,
"gamma": 90.00
},
"wavelengths": [0.96550],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.75,1.40],
"number_observations": 604885,
"number_observations_unique": 91423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.9
},
{
"type": "Completeness",
"value": 95.7
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.42,1.40],
"number_observations": 20006,
"number_observations_unique": 3626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.796
},
{
"type": "R(meas)",
"value": 0.875
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.746
}
]
}
]
}