Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff700a953c0f9d882db1a3d474a1d95b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 36.028,
"b": 73.938,
"c": 95.691,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.970,1.500],
"number_observations": 227920,
"number_observations_unique": 41654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 10482,
"number_observations_unique": 1902,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.737
},
{
"type": "R(meas)",
"value": 1.916
},
{
"type": "R(pim)",
"value": 0.796
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.466
}
]
},
{
"resolution_limits": [36.970,8.220],
"number_observations": 1549,
"number_observations_unique": 315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 32.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}