Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5d347e925b0d371f820532a296b23df",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.434,
"b": 44.157,
"c": 56.549,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.80,1.050],
"number_observations": 257744,
"number_observations_unique": 47523,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.070,1.050],
"number_observations": 4539,
"number_observations_unique": 1876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.893
},
{
"type": "R(meas)",
"value": 1.125
},
{
"type": "R(pim)",
"value": 0.672
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 79.100
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.478
}
]
},
{
"resolution_limits": [33.420,5.760],
"number_observations": 2071,
"number_observations_unique": 361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 49.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}