Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da0a2cda515e9f2a880398ce7031b165",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 96.997,
"b": 141.599,
"c": 168.249,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.5520,3.1060],
"number_observations_unique": 42441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.220,3.110],
"number_observations": 24126,
"number_observations_unique": 4378,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.595
},
{
"type": "R(meas)",
"value": 1.762
},
{
"type": "R(pim)",
"value": 0.740
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.437
}
]
},
{
"resolution_limits": [48.550,11.620],
"number_observations": 4079,
"number_observations_unique": 903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 28.900
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}