Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a98df1054f1d3d9566037a8ab54ee13",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 110.213,
"b": 93.529,
"c": 188.334,
"alpha": 90.00,
"beta": 95.06,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.380,2.190],
"number_observations": 722737,
"number_observations_unique": 195196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.230,2.190],
"number_observations": 37625,
"number_observations_unique": 9697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.810
},
{
"type": "R(meas)",
"value": 0.941
},
{
"type": "R(pim)",
"value": 0.475
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.699
}
]
},
{
"resolution_limits": [48.380,12.000],
"number_observations": 4693,
"number_observations_unique": 1242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 32.900
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}