Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0bf102b60fc6be14d7eda3bfb4cef9a7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.56,
"b": 125.38,
"c": 127.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.560,1.770],
"number_observations": 581841,
"number_observations_unique": 90846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
"refln_shells": [
{
"resolution_limits": [1.800,1.770],
"number_observations": 18295,
"number_observations_unique": 3646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.993
},
{
"type": "R(meas)",
"value": 1.106
},
{
"type": "R(pim)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 78.200
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.605
}
]
},
{
"resolution_limits": [61.560,9.720],
"number_observations": 2786,
"number_observations_unique": 699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
}
]
}