Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cda5172bba2dabd11f5b886ff57737fa",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.365,
"b": 41.515,
"c": 72.262,
"alpha": 90.00,
"beta": 104.34,
"gamma": 90.00
},
"wavelengths": [0.97700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.890,1.300],
"number_observations": 179193,
"number_observations_unique": 57535,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.300],
"number_observations": 3717,
"number_observations_unique": 2164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.349
},
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "R(pim)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 74.200
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.821
}
]
},
{
"resolution_limits": [34.890,7.150],
"number_observations": 1226,
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 39.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}