Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "36113e816a4df1e1b9c8491493ecb51c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.418,
"b": 79.157,
"c": 89.177,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.130,1.500],
"number_observations": 444723,
"number_observations_unique": 71454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 27597,
"number_observations_unique": 5233,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.442
},
{
"type": "R(meas)",
"value": 1.603
},
{
"type": "R(pim)",
"value": 0.694
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.420
}
]
},
{
"resolution_limits": [51.130,6.710],
"number_observations": 5511,
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}