Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b55fab98ce493e4577f923bfd8f3251a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.38,
"b": 45.56,
"c": 151.98,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.560,2.300],
"number_observations": 173881,
"number_observations_unique": 13783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 12748,
"number_observations_unique": 995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.921
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
},
{
"resolution_limits": [45.560,10.290],
"number_observations": 1693,
"number_observations_unique": 198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 43.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}