Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f51ad5002d59a5d9f0ad5abc9790cda7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.272,
"b": 56.186,
"c": 101.835,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.050,1.520],
"number_observations": 325267,
"number_observations_unique": 49735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 22934,
"number_observations_unique": 3583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.824
},
{
"type": "R(meas)",
"value": 0.897
},
{
"type": "R(pim)",
"value": 0.349
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.769
}
]
},
{
"resolution_limits": [29.050,6.790],
"number_observations": 3949,
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 72.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}