Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "52ff551476ec505baf4f102d578494d2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.727,
"b": 101.410,
"c": 144.994,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11598],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.330,2.260],
"number_observations": 204326,
"number_observations_unique": 31111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.281
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.260],
"number_observations": 19051,
"number_observations_unique": 2799,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.685
},
{
"type": "R(meas)",
"value": 5.069
},
{
"type": "R(pim)",
"value": 1.919
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.260
}
]
},
{
"resolution_limits": [48.330,9.040],
"number_observations": 3463,
"number_observations_unique": 575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 30.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}