Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "15b6241296ede9aa4bdf5fcb5b6d749e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.48,
"b": 51.14,
"c": 56.29,
"alpha": 90.00,
"beta": 105.97,
"gamma": 90.00
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.120,1.450],
"number_observations_unique": 37750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 90.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 81.200
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [54.120,7.970],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 38.0
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}