Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b57a1d489b341c6215e7dd71f2a720c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 80.05,
"b": 108.70,
"c": 112.09,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91263],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [78.030,1.780],
"number_observations": 632270,
"number_observations_unique": 94232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.780],
"number_observations": 47782,
"number_observations_unique": 6873,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.620
},
{
"type": "R(meas)",
"value": 2.830
},
{
"type": "R(pim)",
"value": 1.062
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.343
}
]
},
{
"resolution_limits": [78.030,7.960],
"number_observations": 7702,
"number_observations_unique": 1197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 41.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}