Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0fbb6757669815f5edef172fc4cbf1d7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.332,
"b": 80.478,
"c": 90.038,
"alpha": 90.00,
"beta": 92.14,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.99,1.49],
"number_observations_unique": 109510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.8
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.51,1.49],
"number_observations": 18609,
"number_observations_unique": 5367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.694
},
{
"type": "R(meas)",
"value": 0.825
},
{
"type": "R(pim)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
}
]
}