Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f7e604982790621434c6c438a82e873e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 36.775,
"b": 55.980,
"c": 139.576,
"alpha": 90.000,
"beta": 94.462,
"gamma": 90.000
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [139.150,1.750],
"number_observations": 194963,
"number_observations_unique": 56312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 10269,
"number_observations_unique": 3005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.612
},
{
"type": "R(meas)",
"value": 0.727
},
{
"type": "R(pim)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.664
}
]
},
{
"resolution_limits": [139.150,9.090],
"number_observations": 1502,
"number_observations_unique": 443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}