Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f5d204f2254a41fa2c5973ff23b05ef",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.772,
"b": 88.772,
"c": 39.501,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.390,0.990],
"number_observations": 1077257,
"number_observations_unique": 170313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.010,0.990],
"number_observations": 32554,
"number_observations_unique": 7753,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.073
},
{
"type": "R(meas)",
"value": 1.224
},
{
"type": "R(pim)",
"value": 0.575
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.660
}
]
},
{
"resolution_limits": [44.390,5.420],
"number_observations": 7766,
"number_observations_unique": 1134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 39.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}