Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7fc5789781f52be39bf08417b37e1a98",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.196,
"b": 77.517,
"c": 65.767,
"alpha": 90.00,
"beta": 90.07,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.770,1.480],
"number_observations": 1159648,
"number_observations_unique": 78582,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.480],
"number_observations": 176059,
"number_observations_unique": 11442,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.167
},
{
"type": "R(meas)",
"value": 6.376
},
{
"type": "R(pim)",
"value": 1.604
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.400
},
{
"type": "CC(1/2)",
"value": 0.446
}
]
},
{
"resolution_limits": [65.770,4.690],
"number_observations": 34338,
"number_observations_unique": 2563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 20.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}