Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "670712e1d0692cdae98ecafe5b3a8dc4",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 46.651,
"b": 141.442,
"c": 45.264,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.9420,1.250],
"number_observations_unique": 82613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 5335,
"number_observations_unique": 3191,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.484
},
{
"type": "R(meas)",
"value": 1.935
},
{
"type": "R(pim)",
"value": 1.222
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 78.900
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.166
}
]
},
{
"resolution_limits": [38.940,6.860],
"number_observations": 6923,
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 75.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}