Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "39b784d27d527227c8868423e8ef14a6",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 45.038,
"b": 70.029,
"c": 109.005,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.079,1.969],
"number_observations_unique": 25155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 15.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 53.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [45.04,9.02],
"number_observations_unique": 319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Redundancy",
"value": 45.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.02,1.97],
"number_observations_unique": 1708,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.330
},
{
"type": "R(meas)",
"value": 7.458
},
{
"type": "R(pim)",
"value": 1.373
},
{
"type": "Redundancy",
"value": 55.5
},
{
"type": "CC(1/2)",
"value": 0.461
}
]
}
]
}