Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d92d52da7516aa05c0ad30ed48dc0062",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 98.719,
"b": 80.901,
"c": 153.429,
"alpha": 90.00,
"beta": 102.46,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.560,3.000],
"number_observations_unique": 46536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [3.110,3.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 1.477
},
{
"type": "R(pim)",
"value": 0.687
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.703
}
]
},
{
"resolution_limits": [34.560,11.620],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}