Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f886043ebd4622a299507789b56bfcc2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.228,
"b": 51.338,
"c": 78.737,
"alpha": 90.00,
"beta": 92.15,
"gamma": 90.00
},
"wavelengths": [0.95373],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.000,1.8390],
"number_observations_unique": 30372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 10654,
"number_observations_unique": 1701,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.945
},
{
"type": "R(meas)",
"value": 2.120
},
{
"type": "R(pim)",
"value": 0.831
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.507
}
]
},
{
"resolution_limits": [43.000,9.010],
"number_observations": 1742,
"number_observations_unique": 278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.500
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}