Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ded3a6a39d944301501a37bc84fdea6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.259,
"b": 44.586,
"c": 116.872,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.580,0.990],
"number_observations": 548111,
"number_observations_unique": 93887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 86.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.020,0.990],
"number_observations": 2100,
"number_observations_unique": 1556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "R(pim)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 18.600
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [44.580,4.330],
"number_observations": 9936,
"number_observations_unique": 1497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}