Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1aa0bdf7e07b3b5bc55820ac1e1cd384",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 98.417,
"b": 133.314,
"c": 130.303,
"alpha": 90.00,
"beta": 94.54,
"gamma": 90.00
},
"wavelengths": [1.03310],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.300,2.320],
"number_observations_unique": 144484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 6.5
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.320],
"number_observations_unique": 7134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.987
},
{
"type": "R(meas)",
"value": 1.171
},
{
"type": "R(pim)",
"value": 0.625
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [43.300,12.710],
"number_observations_unique": 900,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.4
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.300
}
]
}
]
}