Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22f4aa9521352650ffa7051482cee13a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.66,
"b": 79.47,
"c": 89.53,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.660,1.310],
"number_observations": 685868,
"number_observations_unique": 107505,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.310],
"number_observations": 42361,
"number_observations_unique": 7824,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.622
},
{
"type": "R(meas)",
"value": 1.798
},
{
"type": "R(pim)",
"value": 0.764
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.404
}
]
},
{
"resolution_limits": [62.660,5.860],
"number_observations": 7958,
"number_observations_unique": 1363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 35.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}