Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0594c6eee2c66413c333c84ca9c2acfe",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.922,
"b": 59.040,
"c": 34.846,
"alpha": 90.00,
"beta": 114.48,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.7,1.400],
"number_observations_unique": 22757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations_unique": 1069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.242
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [31.71,7.660],
"number_observations_unique": 155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}