Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2e5e1b4e93cc656a0ed2d0009cd120e0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 78.534,
"b": 99.000,
"c": 143.091,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.760,2.700],
"number_observations": 206002,
"number_observations_unique": 31191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 24008,
"number_observations_unique": 3803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.913
},
{
"type": "R(meas)",
"value": 0.993
},
{
"type": "R(pim)",
"value": 0.387
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [29.760,8.940],
"number_observations": 5544,
"number_observations_unique": 941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 28.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}