Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "67373b9e04516e50c36ca603f9e53d1e",
"space_group_name": "P 1",
"unit_cell": {
"a": 94.550,
"b": 101.227,
"c": 102.483,
"alpha": 83.52,
"beta": 73.63,
"gamma": 77.83
},
"wavelengths": [0.99998],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.790,2.750],
"number_observations_unique": 88409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 12.240
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.0,2.750],
"number_observations_unique": 302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 1.92
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}