Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "44f6bf0fb721ace2776a7ecb333062c0",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 66.180,
"b": 63.330,
"c": 152.491,
"alpha": 90.00,
"beta": 100.47,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.980,2.500],
"number_observations": 101629,
"number_observations_unique": 21500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 11767,
"number_observations_unique": 2436,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.674
},
{
"type": "R(meas)",
"value": 0.760
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.702
}
]
},
{
"resolution_limits": [74.980,9.010],
"number_observations": 2314,
"number_observations_unique": 497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}