Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e6516fafa0f6acb7700c9ff69879ef3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.06,
"b": 57.12,
"c": 115.30,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.120,1.390],
"number_observations": 404656,
"number_observations_unique": 69979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.390],
"number_observations": 22949,
"number_observations_unique": 5107,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.013
},
{
"type": "R(meas)",
"value": 1.150
},
{
"type": "R(pim)",
"value": 0.534
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.474
}
]
},
{
"resolution_limits": [57.120,6.220],
"number_observations": 5366,
"number_observations_unique": 915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}