Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "200a07f2e2f6c9dc33b67b8ed8407a96",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.37,
"b": 76.52,
"c": 77.61,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918,1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.65,2.30],
"number_observations_unique": 16627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [47.65,8.90],
"number_observations_unique": 341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 33.0
},
{
"type": "Redundancy",
"value": 5.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.38,2.30],
"number_observations_unique": 1612,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.216
},
{
"type": "R(meas)",
"value": 1.312
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.664
}
]
}
]
}