Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e5d702f48df9a72b795b5217eebab1b9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.991,
"b": 74.138,
"c": 75.793,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.07,1.900],
"number_observations_unique": 29401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 13403,
"number_observations_unique": 1847,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.253
},
{
"type": "R(meas)",
"value": 1.349
},
{
"type": "R(pim)",
"value": 0.494
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.674
}
]
},
{
"resolution_limits": [41.070,9.110],
"number_observations": 2116,
"number_observations_unique": 326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 23.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}