Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc95857aaa96a9c8fa8d17ae644a5a85",
"space_group_name": "P 1",
"unit_cell": {
"a": 78.702,
"b": 85.047,
"c": 200.477,
"alpha": 89.87,
"beta": 85.38,
"gamma": 69.51
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.550,2.890],
"number_observations": 376957,
"number_observations_unique": 106891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.940,2.890],
"number_observations": 18952,
"number_observations_unique": 5354,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.003
},
{
"type": "R(meas)",
"value": 2.370
},
{
"type": "R(pim)",
"value": 1.251
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.273
}
]
},
{
"resolution_limits": [48.550,15.830],
"number_observations": 2336,
"number_observations_unique": 632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 31.800
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}