Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "114024e9ad1d8cb7f1c7a6f7aecd1c53",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.64,
"b": 47.73,
"c": 69.94,
"alpha": 90.00,
"beta": 90.78,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.860,1.650],
"number_observations": 241972,
"number_observations_unique": 35621,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.690,1.650],
"number_observations_unique": 2621,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.379
},
{
"type": "R(meas)",
"value": 2.573
},
{
"type": "R(pim)",
"value": 0.971
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.301
}
]
},
{
"resolution_limits": [37.860,7.380],
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}