Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "36cd7c13ca68d0a4e798483201349ee8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.62,
"b": 56.90,
"c": 114.86,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.620,1.800],
"number_observations": 208545,
"number_observations_unique": 32173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 15151,
"number_observations_unique": 2347,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.111
},
{
"type": "R(meas)",
"value": 1.209
},
{
"type": "R(pim)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.525
}
]
},
{
"resolution_limits": [51.620,8.050],
"number_observations": 2517,
"number_observations_unique": 434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 29.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}