Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2623045b0ad2428086e6bfd828962628",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.49,
"b": 65.50,
"c": 84.37,
"alpha": 90.00,
"beta": 93.62,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.110,1.630],
"number_observations": 273675,
"number_observations_unique": 92383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 14142,
"number_observations_unique": 6718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.794
},
{
"type": "R(meas)",
"value": 1.033
},
{
"type": "R(pim)",
"value": 0.654
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.492
}
]
},
{
"resolution_limits": [59.110,7.290],
"number_observations": 3444,
"number_observations_unique": 1103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.017
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 48.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}