Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d47baf12015f7aaf74661862c0c0365b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.935,
"b": 97.222,
"c": 125.988,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [77.020,1.598],
"number_observations_unique": 80334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 69357,
"number_observations_unique": 5874,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.275
},
{
"type": "R(meas)",
"value": 1.333
},
{
"type": "R(pim)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [77.020,7.160],
"number_observations": 12181,
"number_observations_unique": 1039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}