Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ed566943e9cee149d2bc7b56f0f75709",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.06,
"b": 55.99,
"c": 91.76,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96859],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.060,1.500],
"number_observations": 267794,
"number_observations_unique": 39433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 15747,
"number_observations_unique": 2834,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.126
},
{
"type": "R(meas)",
"value": 1.238
},
{
"type": "R(pim)",
"value": 0.504
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.544
}
]
},
{
"resolution_limits": [47.060,6.710],
"number_observations": 3071,
"number_observations_unique": 518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}