Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9fa159348909d24594772ba848656c9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.300,
"b": 111.928,
"c": 62.427,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.360,1.750],
"number_observations_unique": 29095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 4605,
"number_observations_unique": 1337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "R(pim)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 82.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.936
}
]
},
{
"resolution_limits": [34.360,9.090],
"number_observations": 1264,
"number_observations_unique": 250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 28.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}