Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1d86f3b27c334131e1d6ef66ab5b4cd5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.183,
"b": 133.527,
"c": 86.922,
"alpha": 90.00,
"beta": 94.83,
"gamma": 90.00
},
"wavelengths": [0.61990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.76,2.67],
"number_observations_unique": 38565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [66.76,9.25],
"number_observations_unique": 975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 20.6
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.79,2.67],
"number_observations_unique": 4442,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.107
},
{
"type": "R(meas)",
"value": 1.363
},
{
"type": "R(pim)",
"value": 0.784
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 94.2
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.477
}
]
}
]
}