Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f9be4262a24877371bdf1ebcd1003d05",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.821,
"b": 86.467,
"c": 94.110,
"alpha": 90.00,
"beta": 103.96,
"gamma": 90.00
},
"wavelengths": [0.91841],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.250,3.199],
"number_observations": 45860,
"number_observations_unique": 14844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
"refln_shells": [
{
"resolution_limits": [3.420,3.200],
"number_observations": 8263,
"number_observations_unique": 2667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [34.250,9.050],
"number_observations": 1947,
"number_observations_unique": 660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}