Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72d6a171306117bd0b186c8eba38aba9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.327,
"b": 41.341,
"c": 72.080,
"alpha": 90.00,
"beta": 104.43,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.8,1.40],
"number_observations_unique": 47834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 14.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.42,1.40],
"number_observations_unique": 2373,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.231
},
{
"type": "R(pim)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
}
]
}