Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c4fd68a6ea482311a36e802f39d944a1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.997,
"b": 86.438,
"c": 127.138,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.830,1.730],
"number_observations": 348119,
"number_observations_unique": 53420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 17.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.730],
"number_observations": 20283,
"number_observations_unique": 3660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.788
},
{
"type": "R(meas)",
"value": 0.867
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
},
{
"resolution_limits": [29.830,7.740],
"number_observations": 4215,
"number_observations_unique": 688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 48.000
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}