Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a255d9c19759d1ccc59aee3ced1ff265",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.015,
"b": 53.566,
"c": 44.292,
"alpha": 90.00,
"beta": 100.84,
"gamma": 90.00
},
"wavelengths": [0.91257],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.99,1.39],
"number_observations": 140878,
"number_observations_unique": 49882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 94.8
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.41,1.39],
"number_observations": 3476,
"number_observations_unique": 1945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.890
},
{
"type": "R(meas)",
"value": 1.207
},
{
"type": "R(pim)",
"value": 0.809
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Redundancy",
"value": 1.8
},
{
"type": "CC(1/2)",
"value": 0.300
}
]
}
]
}