Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40d52f3762947f37e067675479dd53ec",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 124.283,
"b": 57.912,
"c": 48.081,
"alpha": 90.00,
"beta": 106.99,
"gamma": 90.00
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.8860,2.20],
"number_observations_unique": 16865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.28,2.20],
"number_observations_unique": 1183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.5495
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.3331
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.597
}
]
},
{
"resolution_limits": [2.940,2.790],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.803
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
}
]
}