Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66a8e0b0aad595508595ecac97690e59",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.70,
"b": 57.06,
"c": 114.99,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.700,1.390],
"number_observations": 442102,
"number_observations_unique": 67399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.390],
"number_observations": 27115,
"number_observations_unique": 4843,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.529
},
{
"type": "R(meas)",
"value": 1.691
},
{
"type": "R(pim)",
"value": 0.707
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.484
}
]
},
{
"resolution_limits": [51.700,6.220],
"number_observations": 5372,
"number_observations_unique": 891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 51.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}