Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de45c8cb8a080b16c3189db1e3e67cf4",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.427,
"b": 81.959,
"c": 97.116,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.640,1.820],
"number_observations": 647333,
"number_observations_unique": 49086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.920,1.820],
"number_observations": 91767,
"number_observations_unique": 7039,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.435
},
{
"type": "R(meas)",
"value": 1.493
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.904
}
]
},
{
"resolution_limits": [62.640,5.750],
"number_observations": 19428,
"number_observations_unique": 1718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 25.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}