Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3f7c61b2a4a6cd3e0068f5e767495a1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 115.251,
"b": 89.439,
"c": 57.167,
"alpha": 90.00,
"beta": 97.54,
"gamma": 90.00
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.01,1.74],
"number_observations_unique": 58882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 20.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [46.01,9.04],
"number_observations_unique": 440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.77,1.74],
"number_observations_unique": 3209,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.400
},
{
"type": "R(meas)",
"value": 1.648
},
{
"type": "R(pim)",
"value": 0.862
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.521
}
]
}
]
}