Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab94abc994aec80c62ae06b60fbac19e",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 67.70,
"b": 67.70,
"c": 167.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.020,1.900],
"number_observations": 168961,
"number_observations_unique": 18190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 11122,
"number_observations_unique": 1169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.381
},
{
"type": "R(meas)",
"value": 0.403
},
{
"type": "R(pim)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [34.020,9.110],
"number_observations": 1471,
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 42.800
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}