Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c6d4c7da4e9f60f3fc2f6365cf679a26",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 139.386,
"b": 139.386,
"c": 139.386,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [98.561,1.456],
"number_observations_unique": 150335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 14.6
},
{
"type": "Completeness",
"value": 95.9
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.496,1.456],
"number_observations": 70525,
"number_observations_unique": 7531,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.546
},
{
"type": "R(meas)",
"value": 1.636
},
{
"type": "R(pim)",
"value": 0.532
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 62.600
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.536
}
]
},
{
"resolution_limits": [98.561,4.063],
"number_observations": 70947,
"number_observations_unique": 7518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}