Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98554ccaede05f4075c5fc02c639c052",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.78,
"b": 56.90,
"c": 114.86,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.800,1.760],
"number_observations": 211082,
"number_observations_unique": 34413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.760],
"number_observations": 15907,
"number_observations_unique": 2507,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.013
},
{
"type": "R(meas)",
"value": 2.196
},
{
"type": "R(pim)",
"value": 0.868
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.547
}
]
},
{
"resolution_limits": [21.800,7.870],
"number_observations": 2580,
"number_observations_unique": 433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 38.000
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}