Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "112635c3ed656a3a98ed20b8d873d766",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 60.731,
"b": 63.855,
"c": 66.792,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.850,1.200],
"number_observations": 1061978,
"number_observations_unique": 81806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 15.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 49045,
"number_observations_unique": 3973,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.372
},
{
"type": "R(meas)",
"value": 3.517
},
{
"type": "R(pim)",
"value": 0.986
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.518
}
]
},
{
"resolution_limits": [63.850,6.570],
"number_observations": 7144,
"number_observations_unique": 591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 72.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}