Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "266ab24de544f5611e6f673fb8e26199",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 65.55,
"b": 99.92,
"c": 90.18,
"alpha": 90.00,
"beta": 109.35,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.590,1.850],
"number_observations": 314435,
"number_observations_unique": 93050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.850],
"number_observations": 15345,
"number_observations_unique": 4635,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.190
},
{
"type": "R(meas)",
"value": 1.423
},
{
"type": "R(pim)",
"value": 0.771
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.486
}
]
},
{
"resolution_limits": [52.590,10.130],
"number_observations": 1020,
"number_observations_unique": 438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 72.100
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
}
]
}