Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5974cd06ed1ff871b346254f4ec19d0a",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 81.667,
"b": 81.667,
"c": 140.535,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.850,2.500],
"number_observations": 218660,
"number_observations_unique": 17174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.640,2.500],
"number_observations": 32537,
"number_observations_unique": 2449,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.390
},
{
"type": "R(meas)",
"value": 1.446
},
{
"type": "R(pim)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.701
}
]
},
{
"resolution_limits": [46.850,7.910],
"number_observations": 6822,
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 57.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}