Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5551b0be4c51ad81665574ed59c40c5b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.196,
"b": 49.629,
"c": 115.390,
"alpha": 90.00,
"beta": 95.12,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.880,1.820],
"number_observations": 283264,
"number_observations_unique": 81415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.820],
"number_observations": 39819,
"number_observations_unique": 11741,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.633
},
{
"type": "R(meas)",
"value": 1.942
},
{
"type": "R(pim)",
"value": 1.040
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.444
}
]
},
{
"resolution_limits": [79.880,5.740],
"number_observations": 8980,
"number_observations_unique": 2709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}