Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72030c9841592d4a0a5b018e8df774e8",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 77.593,
"b": 77.593,
"c": 37.092,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [13.430,1.600],
"number_observations": 75755,
"number_observations_unique": 15295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 2303,
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.739
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.510
}
]
},
{
"resolution_limits": [13.430,8.760],
"number_observations": 440,
"number_observations_unique": 88,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 27.300
},
{
"type": "Completeness",
"value": 73.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}