Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "159782da3c875fe09c1bfbf897635783",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.212,
"b": 98.501,
"c": 58.705,
"alpha": 90.00,
"beta": 107.92,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.350,1.750],
"number_observations": 448771,
"number_observations_unique": 60148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 13498,
"number_observations_unique": 3327,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.023
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
},
{
"resolution_limits": [46.350,9.090],
"number_observations": 5490,
"number_observations_unique": 451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 109.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}