Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42abc32190ab2811900001bf55849f71",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 76.971,
"b": 108.260,
"c": 223.535,
"alpha": 90.00,
"beta": 93.22,
"gamma": 90.00
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.600,2.989],
"number_observations_unique": 73919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [3.050,2.990],
"number_observations": 24431,
"number_observations_unique": 4043,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.411
},
{
"type": "R(meas)",
"value": 1.544
},
{
"type": "R(pim)",
"value": 0.616
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.555
}
]
},
{
"resolution_limits": [49.600,14.640],
"number_observations": 3739,
"number_observations_unique": 661,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}