Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed05c02285f9ef9bd0a11c44bdc6b16b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.672,
"b": 112.330,
"c": 62.688,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.640,1.800],
"number_observations_unique": 26020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 5682,
"number_observations_unique": 1367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 85.300
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [45.640,9.000],
"number_observations": 1297,
"number_observations_unique": 258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 63.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}