Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1192682af808ca432bc0cfa21cd218df",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.76,
"b": 61.37,
"c": 66.40,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.300,1.930],
"number_observations": 100412,
"number_observations_unique": 15554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 7576,
"number_observations_unique": 1125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.812
},
{
"type": "R(meas)",
"value": 0.880
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
},
{
"resolution_limits": [39.300,8.630],
"number_observations": 1176,
"number_observations_unique": 215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 53.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}