Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d8e3cbfb601e3dd868b3b822130b109",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.819,
"b": 92.785,
"c": 160.756,
"alpha": 90.00,
"beta": 95.39,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.12,1.840],
"number_observations_unique": 162262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 14856,
"number_observations_unique": 7494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.551
},
{
"type": "R(meas)",
"value": 0.779
},
{
"type": "R(pim)",
"value": 0.551
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [48.080,10.100],
"number_observations": 1946,
"number_observations_unique": 1049,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 47.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 1.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}