Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53df7fca3e31bdcaafe4c80662ea150e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.47,
"b": 79.15,
"c": 89.35,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.150,1.470],
"number_observations": 483531,
"number_observations_unique": 75851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.470],
"number_observations": 29482,
"number_observations_unique": 5524,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.530
},
{
"type": "R(meas)",
"value": 1.699
},
{
"type": "R(pim)",
"value": 0.728
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.445
}
]
},
{
"resolution_limits": [79.150,6.570],
"number_observations": 5925,
"number_observations_unique": 977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}