Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3029e74e14dab11f6cf236410fd9fe14",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 57.428,
"b": 57.428,
"c": 183.123,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99988],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.78,2.10],
"number_observations_unique": 9422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 15.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [45.78,8.91],
"number_observations_unique": 163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.16,2.10],
"number_observations_unique": 755,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.279
},
{
"type": "R(meas)",
"value": 2.424
},
{
"type": "R(pim)",
"value": 0.824
},
{
"type": "Redundancy",
"value": 16.5
},
{
"type": "CC(1/2)",
"value": 0.573
}
]
}
]
}