Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af001a49e11311c81a4e8ad0a2b1d91d",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 97.26,
"b": 97.26,
"c": 129.12,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.480,3.050],
"number_observations_unique": 22475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.290,3.050],
"number_observations_unique": 2471,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.898
},
{
"type": "R(meas)",
"value": 0.916
},
{
"type": "R(pim)",
"value": 0.176
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.300
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
{
"resolution_limits": [36.480,8.070],
"number_observations_unique": 749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 23.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}