Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "686bdf07cdb095d15c18890bc1d17140",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.904,
"b": 96.701,
"c": 58.030,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.010,1.730],
"number_observations": 155569,
"number_observations_unique": 24306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.730],
"number_observations": 6296,
"number_observations_unique": 1181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.703
},
{
"type": "R(meas)",
"value": 0.773
},
{
"type": "R(pim)",
"value": 0.315
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 88.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [29.010,9.010],
"number_observations": 1260,
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}