Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "833612a638f8eb37b309138a3ffa1194",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 165.688,
"b": 223.317,
"c": 193.516,
"alpha": 90.00,
"beta": 99.37,
"gamma": 90.00
},
"wavelengths": [0.97648],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.754,3.090],
"number_observations_unique": 126625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "R(meas)",
"value": 0.357
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [3.140,3.090],
"number_observations": 48106,
"number_observations_unique": 6215,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.636
},
{
"type": "R(meas)",
"value": 4.969
},
{
"type": "R(pim)",
"value": 1.784
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.270
}
]
}
]
}