Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e1e19bb97b9e635b32fb811bc890b25d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.018,
"b": 128.300,
"c": 92.505,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.250,1.980],
"number_observations": 362459,
"number_observations_unique": 53332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 79.700
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.980],
"number_observations": 2442,
"number_observations_unique": 918,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.552
},
{
"type": "R(pim)",
"value": 1.101
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 19.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.110
}
]
},
{
"resolution_limits": [46.250,9.050],
"number_observations": 4820,
"number_observations_unique": 725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
}
]
}