Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1a7f96d6164cdc08028991d6e5d45d90",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 74.800,
"b": 90.095,
"c": 222.401,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.900,2.700],
"number_observations": 141641,
"number_observations_unique": 20293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.770,2.700],
"number_observations": 11205,
"number_observations_unique": 1548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 0.713
},
{
"type": "R(pim)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [70.900,12.070],
"number_observations": 1536,
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 41.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}