Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6093788c0192f09515829d4c4b5f4982",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.23,
"b": 82.52,
"c": 63.75,
"alpha": 90.00,
"beta": 100.17,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.750,1.630],
"number_observations": 214529,
"number_observations_unique": 67878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.630],
"number_observations": 30422,
"number_observations_unique": 9894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.463
},
{
"type": "R(meas)",
"value": 0.558
},
{
"type": "R(pim)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [62.750,5.160],
"number_observations": 6969,
"number_observations_unique": 2185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}