Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2e9717c77e646036eb8138dc44ed6c6e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.890,
"b": 199.973,
"c": 118.377,
"alpha": 90.000,
"beta": 106.323,
"gamma": 90.000
},
"wavelengths": [0.95374],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.78,2.80],
"number_observations_unique": 86164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.858
},
{
"type": "R(meas)",
"value": 1.030
},
{
"type": "R(pim)",
"value": 0.561
},
{
"type": "I/SigI",
"value": 4.3
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 6.3
},
{
"type": "CC(1/2)",
"value": 0.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.85,2.80],
"number_observations_unique": 4143,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.835
},
{
"type": "R(meas)",
"value": 11.338
},
{
"type": "R(pim)",
"value": 4.087
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 92.9
},
{
"type": "Redundancy",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.192
}
]
}
]
}