Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d652d223c828462663b225451cc4de5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.229,
"b": 34.045,
"c": 59.621,
"alpha": 90.00,
"beta": 95.15,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.090,1.300],
"number_observations": 200350,
"number_observations_unique": 35698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations": 3223,
"number_observations_unique": 1274,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.435
},
{
"type": "R(meas)",
"value": 1.832
},
{
"type": "R(pim)",
"value": 1.110
},
{
"type": "I/SigI",
"value": 0.100
},
{
"type": "Completeness",
"value": 70.300
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.248
}
]
},
{
"resolution_limits": [37.090,7.130],
"number_observations": 1451,
"number_observations_unique": 253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 42.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}