Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5604533eecca613ba8a28acad0b7cfa1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.26,
"b": 57.33,
"c": 115.32,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.330,1.380],
"number_observations": 455647,
"number_observations_unique": 71968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.380],
"number_observations": 27666,
"number_observations_unique": 5250,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.393
},
{
"type": "R(meas)",
"value": 1.549
},
{
"type": "R(pim)",
"value": 0.672
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.488
}
]
},
{
"resolution_limits": [57.330,6.170],
"number_observations": 5583,
"number_observations_unique": 945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 43.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}