Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a28561e8cb7a6f4bd368e82a93a019e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 70.69,
"b": 83.86,
"c": 98.43,
"alpha": 90.00,
"beta": 110.98,
"gamma": 90.00
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.77,2.41],
"number_observations_unique": 40218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1125
},
{
"type": "I/SigI",
"value": 12.76
},
{
"type": "Completeness",
"value": 97.17
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.50,2.41],
"number_observations_unique": 3754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4939
},
{
"type": "Completeness",
"value": 90.55
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
}
]
}