Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "920e5f5fa07cd0386c1d8a4e6962ea40",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 67.569,
"b": 131.676,
"c": 66.493,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.44,1.450],
"number_observations_unique": 99435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations": 10006,
"number_observations_unique": 3323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "R(meas)",
"value": 0.771
},
{
"type": "R(pim)",
"value": 0.428
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 64.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.600
}
]
},
{
"resolution_limits": [47.390,7.950],
"number_observations": 4178,
"number_observations_unique": 751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 48.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}