Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a6c52fd1e7718974885f0a8b25dbe558",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 84.175,
"b": 79.071,
"c": 149.635,
"alpha": 90.00,
"beta": 93.78,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.620,2.2950],
"number_observations_unique": 87824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.601
},
{
"type": "R(meas)",
"value": 0.645
},
{
"type": "R(pim)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.2950],
"number_observations_unique": 4358,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.756
},
{
"type": "R(meas)",
"value": 2.984
},
{
"type": "R(pim)",
"value": 1.127
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.304
}
]
},
{
"resolution_limits": [46.620,12.360],
"number_observations_unique": 608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}