Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6070553f78e6aa370b066570bd0c0ea3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.984,
"b": 82.793,
"c": 109.901,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.000,1.450],
"number_observations": 499862,
"number_observations_unique": 82939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 24458,
"number_observations_unique": 4047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.827
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [28.000,7.940],
"number_observations": 2564,
"number_observations_unique": 516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 48.100
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}