Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45ebbbffe067ba015c1fba3dd667cfcd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.028,
"b": 56.637,
"c": 102.071,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.170,1.930],
"number_observations": 162304,
"number_observations_unique": 25032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 11624,
"number_observations_unique": 1795,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.597
},
{
"type": "R(meas)",
"value": 3.911
},
{
"type": "R(pim)",
"value": 1.516
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [29.170,8.620],
"number_observations": 2025,
"number_observations_unique": 338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 57.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}