Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "739262982c52b52d5e2dd5a463238e0d",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 52.011,
"b": 99.634,
"c": 109.802,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97970],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [99.630,1.800],
"number_observations_unique": 53664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 21005,
"number_observations_unique": 3128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.815
},
{
"type": "R(meas)",
"value": 0.883
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [99.630,9.000],
"number_observations": 2894,
"number_observations_unique": 514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 60.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}