Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e71fa8d85a89c34921fb23bca6771f0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 25.952,
"b": 46.979,
"c": 46.483,
"alpha": 90.00,
"beta": 102.96,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.980,1.560],
"number_observations": 48076,
"number_observations_unique": 15369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.560],
"number_observations": 1737,
"number_observations_unique": 706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.219
},
{
"type": "R(pim)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [46.980,8.550],
"number_observations": 345,
"number_observations_unique": 106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}