Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7433c19adbc6c3a13304ecd7b9603a9b",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 79.78,
"b": 79.78,
"c": 92.82,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.500,1.800],
"number_observations_unique": 28430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 26.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations_unique": 1360,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.139
},
{
"type": "R(meas)",
"value": 2.185
},
{
"type": "R(pim)",
"value": 0.440
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 23.900
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [60.540,4.890],
"number_observations_unique": 1590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 78.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}