Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "963e2990a297dddd758a4d9425d8e6a0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 24.316,
"b": 29.667,
"c": 32.209,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.65252],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.210,0.890],
"number_observations": 216032,
"number_observations_unique": 18474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [0.900,0.890],
"number_observations": 4279,
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.482
},
{
"type": "R(meas)",
"value": 1.638
},
{
"type": "R(pim)",
"value": 0.667
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.547
}
]
},
{
"resolution_limits": [32.210,4.860],
"number_observations": 1486,
"number_observations_unique": 149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 41.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}