Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "181f60747550a36421c6ff5ad6c6fb6b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.535,
"b": 56.447,
"c": 102.128,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.150,2.230],
"number_observations": 106318,
"number_observations_unique": 15766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.230],
"number_observations": 6767,
"number_observations_unique": 1114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.975
},
{
"type": "R(meas)",
"value": 1.067
},
{
"type": "R(pim)",
"value": 0.424
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.644
}
]
},
{
"resolution_limits": [29.150,9.950],
"number_observations": 1265,
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 35.900
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}