Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c4a9ad48efb35e6caaee4cf3efbc9a4d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 66.45,
"b": 97.66,
"c": 104.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97919],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.660,2.410],
"number_observations": 147091,
"number_observations_unique": 26714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 9.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.500,2.410],
"number_observations": 12050,
"number_observations_unique": 2712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.583
},
{
"type": "R(meas)",
"value": 0.659
},
{
"type": "R(pim)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.705
}
]
},
{
"resolution_limits": [97.660,9.020],
"number_observations": 3040,
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}