Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f12afd406521cf4e09440174a137af5",
"space_group_name": "H 3",
"unit_cell": {
"a": 70.914,
"b": 70.914,
"c": 222.572,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97660],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.77,1.95],
"number_observations_unique": 29321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [53.77,8.94],
"number_observations_unique": 300,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.00,1.95],
"number_observations_unique": 2104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.835
},
{
"type": "R(meas)",
"value": 1.154
},
{
"type": "R(pim)",
"value": 0.794
},
{
"type": "Redundancy",
"value": 2.6
},
{
"type": "CC(1/2)",
"value": 0.378
}
]
}
]
}