Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "26a458e69a535bf8e7e6724ca01240fc",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.20,
"b": 88.20,
"c": 39.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91188],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.100,1.160],
"number_observations": 639122,
"number_observations_unique": 103709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.190,1.160],
"number_observations": 35674,
"number_observations_unique": 7529,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.780
},
{
"type": "R(meas)",
"value": 3.141
},
{
"type": "R(pim)",
"value": 1.432
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.341
}
]
},
{
"resolution_limits": [44.100,5.190],
"number_observations": 8261,
"number_observations_unique": 1252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}