Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "844d4b32cd90f09259dc7452acbc11b8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 149.641,
"b": 79.429,
"c": 189.180,
"alpha": 90.00,
"beta": 96.25,
"gamma": 90.00
},
"wavelengths": [0.99987],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.580,2.800],
"number_observations": 377956,
"number_observations_unique": 106726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 5326,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.099
},
{
"type": "R(meas)",
"value": 1.289
},
{
"type": "R(pim)",
"value": 0.667
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.468
}
]
},
{
"resolution_limits": [49.580,15.340],
"number_observations_unique": 689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
}
]
}