Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "95c4c9037b82b4d834d042842ffc9be3",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.118,
"b": 111.849,
"c": 62.630,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.490,1.130],
"number_observations": 1208392,
"number_observations_unique": 107708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.130],
"number_observations_unique": 5283,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.359
},
{
"type": "R(meas)",
"value": 1.455
},
{
"type": "R(pim)",
"value": 0.505
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [45.490,6.190],
"number_observations_unique": 744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}