Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "499074fc8a7ab4a57f077e1f5c514aa2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 32.865,
"b": 23.675,
"c": 36.648,
"alpha": 90.00,
"beta": 100.19,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.530,1.450],
"number_observations": 55181,
"number_observations_unique": 8727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 28.300
},
{
"type": "Completeness",
"value": 86.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.450],
"number_observations": 258,
"number_observations_unique": 85,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 16.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [26.530,7.800],
"number_observations": 432,
"number_observations_unique": 75,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 34.300
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}