Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6f47d4f6335b36e9a99a6519eb172bd0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.476,
"b": 64.860,
"c": 74.973,
"alpha": 90.00,
"beta": 126.15,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.690,1.730],
"number_observations": 180086,
"number_observations_unique": 47058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.730],
"number_observations": 9395,
"number_observations_unique": 2483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.253
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "R(pim)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [34.690,8.980],
"number_observations": 1343,
"number_observations_unique": 358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 34.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}