Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c01bdc3d935ea6a68207bd6dd70c0c72",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.64,
"b": 53.58,
"c": 44.83,
"alpha": 90.00,
"beta": 102.72,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.367,1.794],
"number_observations_unique": 24802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 13.3
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [48.367,8.02],
"number_observations_unique": 299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 37.0
},
{
"type": "Completeness",
"value": 93.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.84,1.794],
"number_observations_unique": 1705,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.036
},
{
"type": "R(meas)",
"value": 1.126
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "CC(1/2)",
"value": 0.626
}
]
}
]
}