Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad129722377a5a92ca34d601cae6f67a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 66.397,
"b": 65.722,
"c": 137.128,
"alpha": 90.00,
"beta": 98.48,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.250,1.810],
"number_observations": 710161,
"number_observations_unique": 107151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.810],
"number_observations": 29197,
"number_observations_unique": 5026,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.383
},
{
"type": "R(meas)",
"value": 1.518
},
{
"type": "R(pim)",
"value": 0.619
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.463
}
]
},
{
"resolution_limits": [37.250,9.890],
"number_observations": 4437,
"number_observations_unique": 697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 40.300
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}