Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba3841d59f9e352918fdfd7dbdc5fcd2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 70.960,
"b": 84.468,
"c": 134.210,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.760,3.000],
"number_observations": 222239,
"number_observations_unique": 16781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.000],
"number_observations": 33802,
"number_observations_unique": 2651,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.524
},
{
"type": "R(meas)",
"value": 3.671
},
{
"type": "R(pim)",
"value": 1.019
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.456
}
]
},
{
"resolution_limits": [48.760,9.000],
"number_observations": 8145,
"number_observations_unique": 703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 46.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}