Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a75b6f96d2db2d9a43fe907ea6e669c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 74.922,
"b": 70.279,
"c": 138.568,
"alpha": 90.00,
"beta": 98.11,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.160,1.9260],
"number_observations_unique": 106646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.930],
"number_observations": 58931,
"number_observations_unique": 4801,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.211
},
{
"type": "R(meas)",
"value": 2.307
},
{
"type": "R(pim)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 90.700
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [39.160,10.550],
"number_observations": 9943,
"number_observations_unique": 706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}