Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5a04d11049df20db2a4899e532c3eb05",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.164,
"b": 56.572,
"c": 58.228,
"alpha": 90.00,
"beta": 107.15,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.150,1.800],
"number_observations": 95633,
"number_observations_unique": 28815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 5436,
"number_observations_unique": 1673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.665
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
},
{
"resolution_limits": [43.150,9.000],
"number_observations": 816,
"number_observations_unique": 250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 58.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}