Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "733647eff7b9d86ae5061eb2f2f45371",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.139,
"b": 96.620,
"c": 57.833,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.920,1.770],
"number_observations": 143994,
"number_observations_unique": 22297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.770],
"number_observations": 4433,
"number_observations_unique": 987,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.181
},
{
"type": "R(meas)",
"value": 1.319
},
{
"type": "R(pim)",
"value": 0.570
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 76.200
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.629
}
]
},
{
"resolution_limits": [28.920,9.040],
"number_observations": 1247,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 62.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}