Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9719be04c148b60e9ab8859269d1cbf5",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.726,
"b": 65.224,
"c": 84.461,
"alpha": 90.00,
"beta": 93.53,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.940,1.630],
"number_observations": 272151,
"number_observations_unique": 92399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 13812,
"number_observations_unique": 6552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.661
},
{
"type": "R(meas)",
"value": 0.877
},
{
"type": "R(pim)",
"value": 0.570
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [58.940,7.290],
"number_observations": 3496,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 34.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}