Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4630bacce532c977fc7fd1bb6718d7e6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 139.594,
"b": 33.501,
"c": 96.424,
"alpha": 90.00,
"beta": 128.93,
"gamma": 90.00
},
"wavelengths": [0.96500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.440,2.000],
"number_observations": 62417,
"number_observations_unique": 23033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 1742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "R(meas)",
"value": 0.542
},
{
"type": "R(pim)",
"value": 0.314
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [19.440,8.960],
"number_observations_unique": 249,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 82.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}