Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14676c3f284260f02d06aa014af319a2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 75.15,
"b": 109.19,
"c": 118.83,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.040,1.900],
"number_observations": 603243,
"number_observations_unique": 77709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 34006,
"number_observations_unique": 4522,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.270
},
{
"type": "R(pim)",
"value": 0.485
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.598
}
]
},
{
"resolution_limits": [34.040,9.500],
"number_observations": 4553,
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}