Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e54ceacf8ec4d2342d70edc224d0aaf2",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 84.450,
"b": 84.450,
"c": 262.239,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.310,1.960],
"number_observations": 590244,
"number_observations_unique": 68208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 36820,
"number_observations_unique": 4422,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.183
},
{
"type": "R(meas)",
"value": 1.261
},
{
"type": "R(pim)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.678
}
]
},
{
"resolution_limits": [49.310,9.190],
"number_observations": 5767,
"number_observations_unique": 797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}