Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "7281a44efb71e08ee9369812bc38439e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 28.82,
"b": 32.38,
"c": 78.45,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [3.02400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.05,1.94],
"number_observations_unique": 5588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 25.8
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 23.3
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
"refln_shells": [
{
"resolution_limits": [27.05,8.91],
"number_observations_unique": 76,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 76.8
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 35.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.99,1.94],
"number_observations_unique": 346,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.823
},
{
"type": "R(meas)",
"value": 2.039
},
{
"type": "R(pim)",
"value": 0.872
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 88.5
},
{
"type": "Redundancy",
"value": 8.9
},
{
"type": "CC(1/2)",
"value": 0.440
}
]
}
]
}