Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c42959c0b37a3b428d35ec9b9bf95a0b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.21,
"b": 63.10,
"c": 103.79,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.920,1.700],
"number_observations": 278893,
"number_observations_unique": 41913,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 12758,
"number_observations_unique": 2061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.405
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [53.920,9.000],
"number_observations": 2014,
"number_observations_unique": 355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 22.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}