Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf2ce6cdee52fcc30f028a77bb00ae3d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.096,
"b": 47.246,
"c": 46.391,
"alpha": 90.00,
"beta": 103.04,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.250,1.580],
"number_observations": 48514,
"number_observations_unique": 14899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations": 2006,
"number_observations_unique": 692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "R(meas)",
"value": 0.443
},
{
"type": "R(pim)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [47.250,8.660],
"number_observations": 345,
"number_observations_unique": 102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 49.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}