Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ccb3b7993e3405b868190e416c14cd7",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 48.676,
"b": 48.676,
"c": 195.689,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.92,1.80],
"number_observations_unique": 26052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 25.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.7
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [48.92,9.00],
"number_observations_unique": 276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 56.4
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 7.9
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.84,1.80],
"number_observations_unique": 1500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "R(meas)",
"value": 0.424
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
}
]
}