Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "51f48a23cafc2b43fdae3a32c7abbf2e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 86.112,
"b": 71.931,
"c": 97.690,
"alpha": 90.00,
"beta": 92.59,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.03,2.20],
"number_observations": 413086,
"number_observations_unique": 59963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 8.6
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.26,2.20],
"number_observations": 31313,
"number_observations_unique": 4462,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.255
},
{
"type": "R(meas)",
"value": 1.357
},
{
"type": "R(pim)",
"value": 0.510
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.632
}
]
}
]
}