Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42e93d1609a36c6eb850ea91324a8a0d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.39,
"b": 78.77,
"c": 89.20,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.770,1.550],
"number_observations": 420223,
"number_observations_unique": 64477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 27508,
"number_observations_unique": 4668,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.715
},
{
"type": "R(meas)",
"value": 1.885
},
{
"type": "R(pim)",
"value": 0.768
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [78.770,6.930],
"number_observations": 5113,
"number_observations_unique": 841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 32.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}