Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4960f6d9a04b933406e8bc3ea659eb71",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 48.559,
"b": 48.559,
"c": 194.531,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.63,2.50],
"number_observations_unique": 9922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.2
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [48.63,9.01],
"number_observations_unique": 277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 16.5
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.60,2.50],
"number_observations_unique": 1070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "R(meas)",
"value": 0.627
},
{
"type": "R(pim)",
"value": 0.259
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 10.9
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
}
]
}