Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aeb4a60e7a363faa4ab887f2c7b0d481",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 173.717,
"b": 176.072,
"c": 230.579,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.630,2.200],
"number_observations": 2155326,
"number_observations_unique": 355767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.200],
"number_observations": 105371,
"number_observations_unique": 17453,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.998
},
{
"type": "R(pim)",
"value": 1.208
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.587
}
]
},
{
"resolution_limits": [48.630,12.050],
"number_observations": 13292,
"number_observations_unique": 2356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}