Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "68abbb2e8054ca3a18de8081a251acd8",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.765,
"b": 83.765,
"c": 131.337,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.540,2.980],
"number_observations": 224453,
"number_observations_unique": 11374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.140,2.980],
"number_observations": 32277,
"number_observations_unique": 1628,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.338
},
{
"type": "R(meas)",
"value": 5.478
},
{
"type": "R(pim)",
"value": 1.222
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.551
}
]
},
{
"resolution_limits": [72.540,9.430],
"number_observations": 6585,
"number_observations_unique": 419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 41.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 15.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}