Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ac014a10f728b471fab15c521f1ba4a3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 38.30,
"b": 72.01,
"c": 104.39,
"alpha": 90.0,
"beta": 91.4,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.790,1.900],
"number_observations": 130298,
"number_observations_unique": 44327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,1.900],
"number_observations": 36585,
"number_observations_unique": 12580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.391
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [34.790,4.250],
"number_observations": 11360,
"number_observations_unique": 3982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}