Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0529ee5841c280834f2abb3eac884211",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.712,
"b": 27.125,
"c": 55.930,
"alpha": 90.0,
"beta": 100.2,
"gamma": 90.0
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.620,1.240],
"number_observations": 151965,
"number_observations_unique": 25085,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 29.800
},
{
"type": "Completeness",
"value": 72.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.240],
"number_observations": 413,
"number_observations_unique": 239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 9.100
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [35.620,5.410],
"number_observations": 2590,
"number_observations_unique": 420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 53.200
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}