Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6ab0fb0716f16889cd86d2511938bedb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.562,
"b": 57.184,
"c": 114.827,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.830,2.620],
"number_observations": 67149,
"number_observations_unique": 10771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "R(meas)",
"value": 0.309
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 8.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.760,2.620],
"number_observations": 10003,
"number_observations_unique": 1520,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.391
},
{
"type": "R(meas)",
"value": 1.509
},
{
"type": "R(pim)",
"value": 0.580
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.582
}
]
},
{
"resolution_limits": [114.830,8.270],
"number_observations": 2306,
"number_observations_unique": 407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}