Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ba39074b39b30f1cef6f7cbc8a43df37",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.640,
"b": 64.423,
"c": 74.382,
"alpha": 90.00,
"beta": 125.79,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.740,2.130],
"number_observations": 100413,
"number_observations_unique": 24225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.130],
"number_observations": 7760,
"number_observations_unique": 1855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.614
},
{
"type": "R(meas)",
"value": 0.702
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [34.740,9.050],
"number_observations": 1290,
"number_observations_unique": 341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 41.100
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}