Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d95ab76a3b12ea681eee400dec8a776d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.49,
"b": 56.42,
"c": 101.78,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.8900,2.430],
"number_observations": 83798,
"number_observations_unique": 12593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.430],
"number_observations": 6313,
"number_observations_unique": 897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.793
},
{
"type": "R(meas)",
"value": 0.857
},
{
"type": "R(pim)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [55.490,10.870],
"number_observations": 986,
"number_observations_unique": 179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 38.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}