Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80af828e3913b560fd7b45f4fce70345",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.030,
"b": 71.030,
"c": 196.046,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.780,1.870],
"number_observations": 1128906,
"number_observations_unique": 42493,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.525
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.870],
"number_observations": 169056,
"number_observations_unique": 6075,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.076
},
{
"type": "R(meas)",
"value": 7.207
},
{
"type": "R(pim)",
"value": 1.360
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 27.800
},
{
"type": "CC(1/2)",
"value": 0.527
}
]
},
{
"resolution_limits": [66.780,5.920],
"number_observations": 33402,
"number_observations_unique": 1553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 26.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}