Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9ce74a7714dda57e49a8308e18409165",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.55,
"b": 83.45,
"c": 218.76,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.530,3.000],
"number_observations": 283268,
"number_observations_unique": 21216,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.246
},
{
"type": "R(meas)",
"value": 1.296
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 45695,
"number_observations_unique": 3349,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.756
},
{
"type": "R(meas)",
"value": 4.947
},
{
"type": "R(pim)",
"value": 1.346
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 0.334
}
]
},
{
"resolution_limits": [49.530,9.000],
"number_observations": 10322,
"number_observations_unique": 898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}