Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a75ffb9285090d443f7808e2d706bc3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 79.44,
"b": 67.89,
"c": 81.77,
"alpha": 90.00,
"beta": 100.26,
"gamma": 90.00
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.626,2.400],
"number_observations": 120477,
"number_observations_unique": 33221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 12982,
"number_observations_unique": 3509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.466
},
{
"type": "R(pim)",
"value": 0.279
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [51.890,8.980],
"number_observations": 1614,
"number_observations_unique": 494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 71.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}