Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1d34acf54425708fa16b5818c259578",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.01,
"b": 51.54,
"c": 79.31,
"alpha": 90.00,
"beta": 91.87,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.210,2.300],
"number_observations": 109842,
"number_observations_unique": 16355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.276
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 10811,
"number_observations_unique": 1595,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.001
},
{
"type": "R(meas)",
"value": 1.083
},
{
"type": "R(pim)",
"value": 0.411
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [43.210,8.910],
"number_observations": 1734,
"number_observations_unique": 304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}