Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4df1a2284d57298a0188cfeac3066958",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.398,
"b": 64.269,
"c": 74.635,
"alpha": 90.00,
"beta": 125.99,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.670,1.890],
"number_observations": 145972,
"number_observations_unique": 35727,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.890],
"number_observations": 7611,
"number_observations_unique": 1943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.491
},
{
"type": "R(meas)",
"value": 0.567
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.711
}
]
},
{
"resolution_limits": [34.670,9.050],
"number_observations": 1205,
"number_observations_unique": 335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}