Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "19d9cc7b678ea917aeb4097cc5e05b06",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.216,
"b": 54.330,
"c": 114.740,
"alpha": 90.00,
"beta": 100.93,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.940,2.050],
"number_observations": 116729,
"number_observations_unique": 34309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 9367,
"number_observations_unique": 2621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.809
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [48.940,8.940],
"number_observations": 1349,
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}