Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "958aceb81eea4a7e31c5bd8ec2d10dad",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.512,
"b": 106.691,
"c": 82.803,
"alpha": 90.00,
"beta": 96.55,
"gamma": 90.00
},
"wavelengths": [0.97870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.860,1.4290],
"number_observations_unique": 190322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.430],
"number_observations": 13564,
"number_observations_unique": 7629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.747
},
{
"type": "R(pim)",
"value": 0.516
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 80.000
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [19.860,7.830],
"number_observations": 4105,
"number_observations_unique": 1148,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 42.600
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}