Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5cb3bf6ecb49d5bd3f6b7e96792f619",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 83.599,
"b": 83.599,
"c": 114.609,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.800,1.950],
"number_observations_unique": 30247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 2885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.883
},
{
"type": "R(meas)",
"value": 1.037
},
{
"type": "R(pim)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.543
}
]
},
{
"resolution_limits": [41.800,7.550],
"number_observations_unique": 623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}