Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4faaacf7c879a8fae6d7c1275f1a14fe",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 71.41,
"b": 105.27,
"c": 110.45,
"alpha": 90.00,
"beta": 108.61,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.930,1.820],
"number_observations": 1019921,
"number_observations_unique": 137982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.820],
"number_observations": 45628,
"number_observations_unique": 6752,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.151
},
{
"type": "R(meas)",
"value": 2.330
},
{
"type": "R(pim)",
"value": 0.885
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.314
}
]
},
{
"resolution_limits": [56.930,9.980],
"number_observations": 5741,
"number_observations_unique": 877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 31.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}