Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "72dd671d59488c6336fa700edfd4c973",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.973,
"b": 52.913,
"c": 44.135,
"alpha": 90.00,
"beta": 103.02,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.770,1.800],
"number_observations": 89771,
"number_observations_unique": 23437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.210
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 13211,
"number_observations_unique": 3392,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.980
},
{
"type": "R(meas)",
"value": 2.289
},
{
"type": "R(pim)",
"value": 1.137
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.380
}
]
},
{
"resolution_limits": [47.770,5.700],
"number_observations": 2799,
"number_observations_unique": 778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}