Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "60d4fbf247f92e684ea38fe0d3d07d21",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.88,
"b": 57.28,
"c": 114.94,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.290,1.430],
"number_observations": 409936,
"number_observations_unique": 64071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.430],
"number_observations": 26043,
"number_observations_unique": 4639,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.251
},
{
"type": "R(meas)",
"value": 1.380
},
{
"type": "R(pim)",
"value": 0.577
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.517
}
]
},
{
"resolution_limits": [47.290,6.400],
"number_observations": 4863,
"number_observations_unique": 824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 63.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}