Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "af5461c0d16f6e7dbbb315ce6467a550",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.848,
"b": 56.739,
"c": 114.640,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.840,1.780],
"number_observations": 209880,
"number_observations_unique": 33238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.780],
"number_observations": 14512,
"number_observations_unique": 2416,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.892
},
{
"type": "R(meas)",
"value": 2.070
},
{
"type": "R(pim)",
"value": 0.833
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.578
}
]
},
{
"resolution_limits": [50.840,7.960],
"number_observations": 2716,
"number_observations_unique": 451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 24.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}