Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "931b52b8b7c6a4f705cb76546dbcc92c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.709,
"b": 128.236,
"c": 147.812,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.43,1.680],
"number_observations_unique": 127789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.680],
"number_observations": 92146,
"number_observations_unique": 6211,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.969
},
{
"type": "R(meas)",
"value": 3.075
},
{
"type": "R(pim)",
"value": 0.794
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [48.430,9.200],
"number_observations": 11725,
"number_observations_unique": 906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 65.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}