Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9ca24176ff557b9414a79dedded29ba1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 19.664,
"b": 27.322,
"c": 22.613,
"alpha": 90.000,
"beta": 89.601,
"gamma": 90.000
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.61,1.45],
"number_observations_unique": 4214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 96.32
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [22.62,3.92],
"number_observations_unique": 227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 37.2
},
{
"type": "Completeness",
"value": 95.78
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.47,1.45],
"number_observations_unique": 181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.58
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 86.6
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
}
]
}