Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d637fa63af63460b4f27ab28787ada2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.151,
"b": 81.695,
"c": 225.429,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [112.710,2.090],
"number_observations_unique": 53482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.090],
"number_observations_unique": 7011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.596
},
{
"type": "R(meas)",
"value": 0.667
},
{
"type": "R(pim)",
"value": 0.290
},
{
"type": "Completeness",
"value": 89.000
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
},
{
"resolution_limits": [112.710,6.610],
"number_observations_unique": 1922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}