Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dae58f3a306a7ad344801a47157c8287",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.310,
"b": 99.558,
"c": 129.781,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.990,1.920],
"number_observations": 610127,
"number_observations_unique": 77631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.040,1.920],
"number_observations": 87732,
"number_observations_unique": 12098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.617
},
{
"type": "R(meas)",
"value": 0.664
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [78.990,5.770],
"number_observations": 23504,
"number_observations_unique": 3142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}