Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9f018b0950e5cafa4c4f904ce8561d5e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.082,
"b": 51.495,
"c": 79.624,
"alpha": 90.00,
"beta": 92.25,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.230,1.950],
"number_observations": 165640,
"number_observations_unique": 24354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 11079,
"number_observations_unique": 1642,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.658
},
{
"type": "R(meas)",
"value": 1.795
},
{
"type": "R(pim)",
"value": 0.680
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [43.230,8.940],
"number_observations": 1838,
"number_observations_unique": 281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 26.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}