Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5912aec5176f51afa1ab46e2abcd5afa",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.577,
"b": 60.971,
"c": 91.308,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [2.00000,4.00000,1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [13.85,2.15],
"number_observations_unique": 11082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.19
},
{
"type": "R(pim)",
"value": 0.11
},
{
"type": "I/SigI",
"value": 5.29
},
{
"type": "Completeness",
"value": 84.4
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.9
}
]
},
"refln_shells": [
{
"resolution_limits": [2.23,2.15],
"number_observations_unique": 1091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.23
},
{
"type": "R(pim)",
"value": 0.14
},
{
"type": "I/SigI",
"value": 3.48
},
{
"type": "Completeness",
"value": 85.0
},
{
"type": "CC(1/2)",
"value": 0.45
}
]
},
{
"resolution_limits": [1.86,1.80],
"number_observations_unique": 2168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.44
},
{
"type": "R(pim)",
"value": 0.14
},
{
"type": "I/SigI",
"value": 6.08
},
{
"type": "Completeness",
"value": 98
},
{
"type": "CC(1/2)",
"value": 0.94
}
]
}
]
}