Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c112eb57ed18211ada5d385e22ebfd54",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 96.159,
"b": 96.159,
"c": 79.299,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.080,3.300],
"number_observations": 67364,
"number_observations_unique": 6676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.560,3.300],
"number_observations": 14143,
"number_observations_unique": 1354,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.044
},
{
"type": "R(meas)",
"value": 2.148
},
{
"type": "R(pim)",
"value": 0.656
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
},
{
"resolution_limits": [48.080,8.720],
"number_observations": 3568,
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}