Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86676e9ccc517f2272114088e3a9164c",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.413,
"b": 91.057,
"c": 99.491,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [67.170,1.980],
"number_observations": 214445,
"number_observations_unique": 20089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,1.980],
"number_observations": 27479,
"number_observations_unique": 2507,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.266
},
{
"type": "R(meas)",
"value": 1.327
},
{
"type": "R(pim)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 80.800
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [67.170,6.260],
"number_observations": 7712,
"number_observations_unique": 760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 22.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}