Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "18cccf20f43639d82371d8c475236fa8",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 83.27,
"b": 83.27,
"c": 133.33,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.060,2.270],
"number_observations": 505750,
"number_observations_unique": 25367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.270],
"number_observations": 38282,
"number_observations_unique": 1838,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.174
},
{
"type": "R(meas)",
"value": 4.278
},
{
"type": "R(pim)",
"value": 0.932
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [36.060,10.150],
"number_observations": 4600,
"number_observations_unique": 336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 48.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}