Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba717dd07df40dec47d730610221cdb3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 33.318,
"b": 46.032,
"c": 38.923,
"alpha": 90.000,
"beta": 104.712,
"gamma": 90.000
},
"wavelengths": [0.97954],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.030,1.680],
"number_observations": 52864,
"number_observations_unique": 9246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 70.400
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 84,
"number_observations_unique": 37,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.989
},
{
"type": "R(meas)",
"value": 1.255
},
{
"type": "R(pim)",
"value": 0.757
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 5.700
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.443
}
]
}
]
}