Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b090f81cad1a932fd5c44c9d76dd2db7",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 92.219,
"b": 92.219,
"c": 365.116,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96580],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.390,2.550],
"number_observations": 298616,
"number_observations_unique": 31237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.660,2.550],
"number_observations": 36083,
"number_observations_unique": 3709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.825
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.766
}
]
},
{
"resolution_limits": [33.390,8.830],
"number_observations": 8687,
"number_observations_unique": 912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}