Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "443f5f31cb8ff33c54c134af6e07f35f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.220,
"b": 127.190,
"c": 84.599,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.830,2.410],
"number_observations": 99518,
"number_observations_unique": 27979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.410],
"number_observations": 9181,
"number_observations_unique": 2766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(pim)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 80.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [50.830,8.690],
"number_observations": 2456,
"number_observations_unique": 665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 20.600
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}