Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c33e545dfef2a9deb5dd95b68f4cab8",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 88.25,
"b": 101.27,
"c": 66.57,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.530,1.680],
"number_observations": 187362,
"number_observations_unique": 32780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.680],
"number_observations_unique": 4647,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.778
},
{
"type": "R(meas)",
"value": 3.267
},
{
"type": "R(pim)",
"value": 1.325
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.044
}
]
},
{
"resolution_limits": [66.530,5.330],
"number_observations_unique": 1157,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}