Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "906a19a4394d0e53e7489fcd92c8a57c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.25,
"b": 105.44,
"c": 110.28,
"alpha": 90.00,
"beta": 108.78,
"gamma": 90.00
},
"wavelengths": [0.80770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.820,1.900],
"number_observations": 710465,
"number_observations_unique": 118199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.900],
"number_observations": 28525,
"number_observations_unique": 5577,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.155
},
{
"type": "R(meas)",
"value": 1.282
},
{
"type": "R(pim)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.560
}
]
},
{
"resolution_limits": [56.820,10.410],
"number_observations": 4757,
"number_observations_unique": 761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 33.400
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}