Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ac90e98475c0d6d7e557261a015d9a8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 158.360,
"b": 70.402,
"c": 154.240,
"alpha": 90.00,
"beta": 112.99,
"gamma": 90.00
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.480,2.800],
"number_observations_unique": 38251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.920,2.800],
"number_observations_unique": 4699,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.082
},
{
"type": "R(meas)",
"value": 1.224
},
{
"type": "R(pim)",
"value": 0.561
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.447
}
]
},
{
"resolution_limits": [78.480,9.700],
"number_observations_unique": 996,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}