Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4fc22a593bc2b9f492eb92f8943737c9",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 138.646,
"b": 68.425,
"c": 159.256,
"alpha": 90.000,
"beta": 114.453,
"gamma": 90.000
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.74,2.80],
"number_observations_unique": 33478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 12.0
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 4.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [48.74,9.29],
"number_observations_unique": 946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.94,2.80],
"number_observations_unique": 4459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.523
},
{
"type": "R(meas)",
"value": 0.668
},
{
"type": "R(pim)",
"value": 0.409
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
}
]
}