Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d3fcd28e1c2be96cc4ca3260cfad0a40",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.01,
"b": 89.65,
"c": 118.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97662],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [118.75,2.85],
"number_observations_unique": 13893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.8
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [118.75,9.01],
"number_observations_unique": 515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Redundancy",
"value": 7.7
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.00,2.85],
"number_observations_unique": 1976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "R(meas)",
"value": 0.569
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "Redundancy",
"value": 8.7
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
}
]
}