Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bca9ac08f3ea91c7c75884c1b1039896",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.147,
"b": 56.347,
"c": 101.701,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.270,1.550],
"number_observations": 255539,
"number_observations_unique": 46301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.550],
"number_observations": 35771,
"number_observations_unique": 6647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.563
},
{
"type": "R(meas)",
"value": 0.623
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [22.270,4.900],
"number_observations": 9905,
"number_observations_unique": 1628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}