Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4fea378dc32a2091560f2e4cd04e6c61",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 197.250,
"b": 197.250,
"c": 197.722,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00002],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.430,2.400],
"number_observations": 1980138,
"number_observations_unique": 172835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.400],
"number_observations": 95653,
"number_observations_unique": 8520,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.259
},
{
"type": "R(meas)",
"value": 2.366
},
{
"type": "R(pim)",
"value": 0.702
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.574
}
]
},
{
"resolution_limits": [49.430,13.150],
"number_observations": 12070,
"number_observations_unique": 1145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 53.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 10.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}