Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d72bd3b2cfca398c1749065766d7507",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 61.170,
"b": 42.899,
"c": 108.566,
"alpha": 90.00,
"beta": 105.76,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.200,1.550],
"number_observations": 267195,
"number_observations_unique": 39472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 13501,
"number_observations_unique": 1944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.687
},
{
"type": "R(meas)",
"value": 0.742
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.849
}
]
},
{
"resolution_limits": [46.200,8.490],
"number_observations": 1553,
"number_observations_unique": 263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 46.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}