Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e5ba1ca88402e2cff6ceea4fad3ac46d",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 75.867,
"b": 124.503,
"c": 118.567,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.850,1.550],
"number_observations": 660031,
"number_observations_unique": 79696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.550],
"number_observations": 66709,
"number_observations_unique": 11622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.512
},
{
"type": "R(meas)",
"value": 0.563
},
{
"type": "R(pim)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [56.850,4.890],
"number_observations": 23411,
"number_observations_unique": 2778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 97.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}