Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "baf595cafaf4f8fdf3433a1c682272dd",
"space_group_name": "P 32",
"unit_cell": {
"a": 67.887,
"b": 67.887,
"c": 149.130,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.28100,1.77100,0.97940,0.97900,1.03900,1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.154,2.539],
"number_observations_unique": 50608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.68,2.54],
"number_observations_unique": 3715,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.394
},
{
"type": "R(meas)",
"value": 3.761
},
{
"type": "R(pim)",
"value": 1.213
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.0
},
{
"type": "CC(1/2)",
"value": 0.468
}
]
},
{
"resolution_limits": [37.96,8.03],
"number_observations_unique": 817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 56.0
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}