Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "4182f5aa6217ba510ef5b2c0f791090c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.970,
"b": 101.637,
"c": 146.684,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11585],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.890,2.150],
"number_observations": 224016,
"number_observations_unique": 36331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "R(meas)",
"value": 0.587
},
{
"type": "R(pim)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 18254,
"number_observations_unique": 2985,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.791
},
{
"type": "R(meas)",
"value": 3.047
},
{
"type": "R(pim)",
"value": 1.204
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.332
}
]
},
{
"resolution_limits": [48.890,8.880],
"number_observations": 2950,
"number_observations_unique": 606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "R(pim)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
}
]
}