Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "341b2171c09032a02d34e039efdbba3d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.471,
"b": 41.481,
"c": 71.830,
"alpha": 90.00,
"beta": 104.49,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.770,1.4060],
"number_observations_unique": 45791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.410],
"number_observations": 13006,
"number_observations_unique": 2172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.535
},
{
"type": "R(meas)",
"value": 0.586
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [34.770,7.700],
"number_observations": 1909,
"number_observations_unique": 315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 41.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}