Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3694d4efb881d715a1d00541c4d70edb",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.662,
"b": 112.582,
"c": 62.687,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.660,1.800],
"number_observations_unique": 26351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 3797,
"number_observations_unique": 1375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.405
},
{
"type": "R(pim)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 85.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [45.660,9.000],
"number_observations": 644,
"number_observations_unique": 251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 44.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}