Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "28a93b06bdb3b0f452ca72559dd10020",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.909,
"b": 81.291,
"c": 112.871,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03342],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.361,1.85],
"number_observations_unique": 53566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [47.32,9.07],
"number_observations_unique": 547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 26.5
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 12.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.89,1.85],
"number_observations_unique": 3262,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.517
},
{
"type": "R(meas)",
"value": 2.713
},
{
"type": "R(pim)",
"value": 1.008
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 13.6
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
}
]
}