Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6b53b361464546e28f6a25f4c6330b10",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 67.891,
"b": 141.959,
"c": 65.309,
"alpha": 90.0,
"beta": 115.7,
"gamma": 90.0
},
"wavelengths": [0.97994],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.430,2.206],
"number_observations_unique": 27025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.210],
"number_observations": 6078,
"number_observations_unique": 2299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.468
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [37.430,9.090],
"number_observations": 1125,
"number_observations_unique": 395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}