Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "2870402ee3b4ae240ebaecb188ee9c2f",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 81.63,
"b": 81.63,
"c": 134.94,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.070,1.960],
"number_observations": 765373,
"number_observations_unique": 38066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 25.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 57857,
"number_observations_unique": 2777,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.512
},
{
"type": "R(meas)",
"value": 1.549
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 0.848
}
]
},
{
"resolution_limits": [39.070,8.770],
"number_observations": 7364,
"number_observations_unique": 490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 76.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 15.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}