Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b68d3373bc4d7495f1c83a082a6efe56",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 69.396,
"b": 84.262,
"c": 77.945,
"alpha": 90.0,
"beta": 104.0,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.610,1.820],
"number_observations": 292026,
"number_observations_unique": 77499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 16080,
"number_observations_unique": 4402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.731
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.769
}
]
},
{
"resolution_limits": [47.610,9.100],
"number_observations": 1931,
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 67.500
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}