Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "359f9b0b12ba8f7f1ff225152fddcdfd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.041,
"b": 75.063,
"c": 223.592,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.75142],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.9,2.570],
"number_observations_unique": 33539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.660,2.570],
"number_observations": 17082,
"number_observations_unique": 3160,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.310
},
{
"type": "R(meas)",
"value": 1.454
},
{
"type": "R(pim)",
"value": 0.619
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [47.360,9.950],
"number_observations": 3792,
"number_observations_unique": 683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}