Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f06535e2599739f16e6e9785429b0e0",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.675,
"b": 64.243,
"c": 74.668,
"alpha": 90.00,
"beta": 125.85,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.750,1.840],
"number_observations": 160773,
"number_observations_unique": 39141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations": 9000,
"number_observations_unique": 2289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.675
},
{
"type": "R(meas)",
"value": 0.778
},
{
"type": "R(pim)",
"value": 0.383
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [34.750,8.990],
"number_observations": 1157,
"number_observations_unique": 329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}