Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "498526ac9aa69695b0e8bd3367df4855",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 193.253,
"b": 55.793,
"c": 122.843,
"alpha": 90.00,
"beta": 114.09,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [112.23,2.61],
"number_observations": 679243,
"number_observations_unique": 36877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(meas)",
"value": 0.361
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 15.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.66,2.61],
"number_observations_unique": 1850,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.329
},
{
"type": "R(meas)",
"value": 6.544
},
{
"type": "R(pim)",
"value": 1.650
},
{
"type": "I/SigI",
"value": 0.3
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 15.8
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
},
{
"resolution_limits": [112.23,7.08],
"number_observations_unique": 1948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 30.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 14.3
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}