Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a7a316e32728959ee5c5f2a9d49c7e52",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 56.71,
"b": 58.91,
"c": 76.66,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.055,1.950],
"number_observations_unique": 37090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 9473,
"number_observations_unique": 2617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.723
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [36.050,8.940],
"number_observations": 1388,
"number_observations_unique": 421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}