Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d735b1588e9cd3e56651b514ae82fff2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.894,
"b": 40.623,
"c": 75.497,
"alpha": 90.000,
"beta": 99.996,
"gamma": 90.000
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.35,1.70],
"number_observations_unique": 43098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [74.35,9.00],
"number_observations_unique": 333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Redundancy",
"value": 4.4
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 2263,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.556
},
{
"type": "R(meas)",
"value": 1.966
},
{
"type": "R(pim)",
"value": 1.186
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
}
]
}