Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "13d35a9bbb2e2fa1a91975c4e14d4b6b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.936,
"b": 74.574,
"c": 73.862,
"alpha": 90.00,
"beta": 91.53,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.70,1.49],
"number_observations": 1076479,
"number_observations_unique": 81242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 13.3
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.52,1.49],
"number_observations": 30839,
"number_observations_unique": 3577,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.190
},
{
"type": "R(meas)",
"value": 1.262
},
{
"type": "R(pim)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Redundancy",
"value": 8.6
},
{
"type": "CC(1/2)",
"value": 0.643
}
]
}
]
}