Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a1643c4c92ad89080f6ffee597ef32c9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 174.092,
"b": 177.728,
"c": 230.981,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.980,2.300],
"number_observations": 2509800,
"number_observations_unique": 315610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(pim)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations": 122968,
"number_observations_unique": 15462,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.636
},
{
"type": "R(pim)",
"value": 1.371
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.446
}
]
},
{
"resolution_limits": [48.980,12.600],
"number_observations": 15266,
"number_observations_unique": 2105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}