Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f884924125ca492ce7dc14e1200342a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.68,
"b": 58.87,
"c": 42.03,
"alpha": 90.00,
"beta": 98.17,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.980,1.150],
"number_observations": 172082,
"number_observations_unique": 69492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.150],
"number_observations": 24973,
"number_observations_unique": 9987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [33.980,3.640],
"number_observations": 5468,
"number_observations_unique": 2221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}