Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c500cc92b397b33981ffde4e23429465",
"space_group_name": "P 41 2 2",
"unit_cell": {
"a": 83.65,
"b": 83.65,
"c": 114.72,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.650,1.980],
"number_observations_unique": 28957,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,1.980],
"number_observations_unique": 4174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.877
},
{
"type": "R(meas)",
"value": 1.031
},
{
"type": "R(pim)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.570
}
]
},
{
"resolution_limits": [34.780,6.260],
"number_observations_unique": 1020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}