Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "5022ea2297e0445e0dd4e0abf0707511",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.980,
"b": 102.083,
"c": 145.419,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.470,2.060],
"number_observations": 269275,
"number_observations_unique": 41030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.060],
"number_observations": 21375,
"number_observations_unique": 3153,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.246
},
{
"type": "R(meas)",
"value": 2.435
},
{
"type": "R(pim)",
"value": 0.926
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.392
}
]
},
{
"resolution_limits": [48.470,8.980],
"number_observations": 3231,
"number_observations_unique": 588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 34.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}