Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e1b407b3cfe3ddc4678478618eddb2e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.449,
"b": 56.431,
"c": 102.186,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.160,1.950],
"number_observations": 158178,
"number_observations_unique": 24177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 11395,
"number_observations_unique": 1744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.951
},
{
"type": "R(meas)",
"value": 1.033
},
{
"type": "R(pim)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [29.160,8.700],
"number_observations": 1927,
"number_observations_unique": 329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 55.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}