Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3555581fcb85a36e5c1bec8757330832",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 91.806,
"b": 58.074,
"c": 148.212,
"alpha": 90.00,
"beta": 92.25,
"gamma": 90.00
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.070,2.700],
"number_observations": 129478,
"number_observations_unique": 21519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.187
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.830,2.700],
"number_observations": 13525,
"number_observations_unique": 2718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.707
},
{
"type": "R(meas)",
"value": 0.781
},
{
"type": "R(pim)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.842
}
]
},
{
"resolution_limits": [49.070,8.960],
"number_observations": 4104,
"number_observations_unique": 630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}