Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0ad663b683d87edacacb2c073f177132",
"space_group_name": "P 1",
"unit_cell": {
"a": 40.506,
"b": 67.147,
"c": 129.831,
"alpha": 75.73,
"beta": 89.96,
"gamma": 89.95
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.940,2.230],
"number_observations_unique": 59635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.230],
"number_observations_unique": 4606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.784
},
{
"type": "R(meas)",
"value": 1.013
},
{
"type": "R(pim)",
"value": 0.580
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [41.940,9.720],
"number_observations_unique": 757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}