Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "91285869b0bca86db8415c67f5d87615",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 34.400,
"b": 58.130,
"c": 119.819,
"alpha": 90.00,
"beta": 93.46,
"gamma": 90.00
},
"wavelengths": [0.98011],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.830,1.250],
"number_observations": 847514,
"number_observations_unique": 128434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.280,1.250],
"number_observations": 44204,
"number_observations_unique": 8798,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.175
},
{
"type": "R(meas)",
"value": 2.417
},
{
"type": "R(pim)",
"value": 1.033
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 89.100
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.281
}
]
},
{
"resolution_limits": [41.830,5.570],
"number_observations": 10044,
"number_observations_unique": 1561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 38.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}