Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a5b948e7571d97c941c145d14d87dcd8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.49,
"b": 106.56,
"c": 154.29,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [87.680,2.340],
"number_observations": 440918,
"number_observations_unique": 37848,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.340],
"number_observations": 42718,
"number_observations_unique": 3588,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.606
},
{
"type": "R(meas)",
"value": 2.722
},
{
"type": "R(pim)",
"value": 0.768
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.537
}
]
},
{
"resolution_limits": [87.680,9.070],
"number_observations": 8880,
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 32.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}