Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b05dc2c6e9bf98ea71ec3620f8e8930",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 77.307,
"b": 87.556,
"c": 134.197,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.73,2.235],
"number_observations_unique": 44738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 1.00
}
]
},
"refln_shells": [
{
"resolution_limits": [2.31,2.24],
"number_observations_unique": 3950,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.139
},
{
"type": "R(pim)",
"value": 0.512
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "CC(1/2)",
"value": 0.752
}
]
}
]
}