Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "909aa67d6886c9b87e232c78350c5103",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.806,
"b": 56.634,
"c": 101.839,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.120,1.630],
"number_observations": 268778,
"number_observations_unique": 40731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 16673,
"number_observations_unique": 2861,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.825
},
{
"type": "R(meas)",
"value": 0.907
},
{
"type": "R(pim)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [29.120,7.280],
"number_observations": 3313,
"number_observations_unique": 531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 66.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}