Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "deb95b141bbf21ad29ab8885781f315b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.02,
"b": 38.03,
"c": 62.51,
"alpha": 90.00,
"beta": 95.42,
"gamma": 90.00
},
"wavelengths": [0.96980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.030,2.620],
"number_observations": 21309,
"number_observations_unique": 6860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.690,2.620],
"number_observations": 1574,
"number_observations_unique": 504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.997
},
{
"type": "R(meas)",
"value": 1.204
},
{
"type": "R(pim)",
"value": 0.668
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [38.030,11.720],
"number_observations": 231,
"number_observations_unique": 90,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}