Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18e239aace7fc3be4ea1d47117dc6a4d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.760,
"b": 67.873,
"c": 138.585,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.590,2.020],
"number_observations": 290271,
"number_observations_unique": 42797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.020],
"number_observations": 21309,
"number_observations_unique": 3027,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.302
},
{
"type": "R(meas)",
"value": 3.566
},
{
"type": "R(pim)",
"value": 1.337
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.412
}
]
},
{
"resolution_limits": [138.590,9.020],
"number_observations": 3192,
"number_observations_unique": 579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 38.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.790
}
]
}
]
}