Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "001c9575497acfa4c3cb72bd93b0ba0c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 97.277,
"b": 112.244,
"c": 212.981,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.12,2.83],
"number_observations_unique": 27807,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 14.4
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 13.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [56.12,8.95],
"number_observations_unique": 3932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Redundancy",
"value": 11.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.98,2.83],
"number_observations_unique": 971,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.617
},
{
"type": "R(meas)",
"value": 1.749
},
{
"type": "R(pim)",
"value": 0.659
},
{
"type": "Redundancy",
"value": 13.2
},
{
"type": "CC(1/2)",
"value": 0.612
}
]
}
]
}