Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b437147cbc56baf407ce571e4506a17",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.823,
"b": 61.506,
"c": 32.691,
"alpha": 90.00,
"beta": 92.83,
"gamma": 90.00
},
"wavelengths": [0.92208],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.37,1.53],
"number_observations": 148343,
"number_observations_unique": 21871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.61,1.53],
"number_observations": 18291,
"number_observations_unique": 3171,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.478
},
{
"type": "R(meas)",
"value": 2.726
},
{
"type": "R(pim)",
"value": 1.123
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.383
}
]
}
]
}