Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acb6e38eb2a9f6c004bdbd720ccdc6a0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.021,
"b": 86.170,
"c": 127.337,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.340,1.770],
"number_observations": 324702,
"number_observations_unique": 50103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 20730,
"number_observations_unique": 3373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.889
},
{
"type": "R(meas)",
"value": 0.969
},
{
"type": "R(pim)",
"value": 0.381
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.709
}
]
},
{
"resolution_limits": [29.340,7.900],
"number_observations": 3955,
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 50.400
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}