Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7474cd7fff7a20de102267a0ad5c5341",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 110.603,
"b": 179.929,
"c": 88.304,
"alpha": 90.00,
"beta": 107.01,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.180,1.840],
"number_observations_unique": 275613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.840],
"number_observations": 31394,
"number_observations_unique": 5414,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.918
},
{
"type": "R(meas)",
"value": 2.098
},
{
"type": "R(pim)",
"value": 0.826
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 76.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.435
}
]
},
{
"resolution_limits": [91.180,10.070],
"number_observations": 5811,
"number_observations_unique": 894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 45.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}