Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60d273df7888a98db0ccd32037d7d179",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.104,
"b": 72.222,
"c": 76.886,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00068],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.360,1.200],
"number_observations": 1237436,
"number_observations_unique": 99101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 59278,
"number_observations_unique": 4986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.783
},
{
"type": "R(meas)",
"value": 0.818
},
{
"type": "R(pim)",
"value": 0.235
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [46.360,6.570],
"number_observations": 7798,
"number_observations_unique": 722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 92.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}