Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80993a91f770b0743663b942224c4cd3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 128.470,
"b": 69.363,
"c": 159.408,
"alpha": 90.00,
"beta": 94.67,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.310,1.700],
"number_observations": 2062156,
"number_observations_unique": 299928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 99295,
"number_observations_unique": 14544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.966
},
{
"type": "R(pim)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.705
}
]
},
{
"resolution_limits": [49.310,9.310],
"number_observations": 13779,
"number_observations_unique": 1998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 49.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}