Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4cf77632705031b00c891ca40484d9a7",
"space_group_name": "P 1",
"unit_cell": {
"a": 118.153,
"b": 126.595,
"c": 148.165,
"alpha": 87.24,
"beta": 79.15,
"gamma": 86.29
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.860,3.400],
"number_observations": 228565,
"number_observations_unique": 114498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
"refln_shells": [
{
"resolution_limits": [4.160,3.400],
"number_observations": 104047,
"number_observations_unique": 52095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.486
},
{
"type": "R(pim)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.796
}
]
},
{
"resolution_limits": [49.860,5.890],
"number_observations": 44035,
"number_observations_unique": 22078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}