Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "70852762c33c17c4ed603e2b6d16dba0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.552,
"b": 90.013,
"c": 100.859,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54184],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.480,1.900],
"number_observations": 477331,
"number_observations_unique": 44299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 32887,
"number_observations_unique": 2898,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.109
},
{
"type": "R(meas)",
"value": 1.161
},
{
"type": "R(pim)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [21.480,8.910],
"number_observations": 2221,
"number_observations_unique": 443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 48.000
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}