Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4d5096daf4a6a5dc73d62a210fb8ea0f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.985,
"b": 27.444,
"c": 56.432,
"alpha": 90.00,
"beta": 99.88,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.600,1.150],
"number_observations": 174273,
"number_observations_unique": 33659,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 75.700
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.170,1.150],
"number_observations": 131,
"number_observations_unique": 130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 6.000
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [55.600,6.300],
"number_observations": 1790,
"number_observations_unique": 304,
"quality_factors": [
{
"type": "I/SigI",
"value": 39.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
}
]
}
]
}