Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "875bfdb81da842171ca3589d3ac0e29b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 181.883,
"b": 58.860,
"c": 67.303,
"alpha": 90.00,
"beta": 94.67,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.430,1.650],
"number_observations": 529960,
"number_observations_unique": 84215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.650],
"number_observations": 72162,
"number_observations_unique": 11986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.335
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [29.410,5.220],
"number_observations": 19971,
"number_observations_unique": 2792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}