Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cd3f8f6d1ef2818e596fef2d4f859252",
"space_group_name": "P 1",
"unit_cell": {
"a": 69.045,
"b": 69.162,
"c": 73.376,
"alpha": 122.07,
"beta": 93.65,
"gamma": 97.90
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.590,2.050],
"number_observations": 239575,
"number_observations_unique": 68617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,2.050],
"number_observations": 15573,
"number_observations_unique": 4400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.792
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.681
}
]
},
{
"resolution_limits": [49.590,9.830],
"number_observations": 2319,
"number_observations_unique": 625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 31.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}