Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de9826ce2c9bec4772c901e9af1fa13b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 27.286,
"b": 40.235,
"c": 32.260,
"alpha": 90.00,
"beta": 97.85,
"gamma": 90.00
},
"wavelengths": [1.00004],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.230,1.140],
"number_observations": 90869,
"number_observations_unique": 20632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.140],
"number_observations": 34,
"number_observations_unique": 34,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 1.900
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [40.230,5.120],
"number_observations": 1246,
"number_observations_unique": 280,
"quality_factors": [
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 4.400
}
]
}
]
}