Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "32b524100a4c2381a57a7743203b01f3",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.095,
"b": 70.190,
"c": 85.226,
"alpha": 102.66,
"beta": 96.15,
"gamma": 112.43
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.240,1.910],
"number_observations": 303368,
"number_observations_unique": 90031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.910],
"number_observations": 12527,
"number_observations_unique": 4236,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.988
},
{
"type": "R(meas)",
"value": 2.442
},
{
"type": "R(pim)",
"value": 1.387
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.328
}
]
},
{
"resolution_limits": [81.240,10.450],
"number_observations": 2203,
"number_observations_unique": 565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 33.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}