Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b92e7b7eda6a650e2fd63fcf16f3f7e9",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.257,
"b": 88.257,
"c": 38.900,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91188],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.250,1.100],
"number_observations": 678638,
"number_observations_unique": 121650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.120,1.100],
"number_observations": 20685,
"number_observations_unique": 5948,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.834
},
{
"type": "R(meas)",
"value": 2.166
},
{
"type": "R(pim)",
"value": 1.131
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.339
}
]
},
{
"resolution_limits": [88.250,6.020],
"number_observations": 5520,
"number_observations_unique": 819,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}