Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e96a2e116331c8e54b2ae3acc9f33fb",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.799,
"b": 71.804,
"c": 52.544,
"alpha": 90.00,
"beta": 104.42,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.610,1.820],
"number_observations": 88658,
"number_observations_unique": 24394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 5076,
"number_observations_unique": 1429,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.179
},
{
"type": "R(meas)",
"value": 1.391
},
{
"type": "R(pim)",
"value": 0.729
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.340
}
]
},
{
"resolution_limits": [36.610,9.100],
"number_observations": 674,
"number_observations_unique": 197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}