Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fde1a39194cea02335307bce6255dba2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.781,
"b": 69.719,
"c": 57.539,
"alpha": 90.00,
"beta": 92.28,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.550,1.540],
"number_observations": 423732,
"number_observations_unique": 62687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations": 16455,
"number_observations_unique": 2991,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.718
},
{
"type": "R(meas)",
"value": 1.902
},
{
"type": "R(pim)",
"value": 0.804
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.265
}
]
},
{
"resolution_limits": [57.550,8.440],
"number_observations": 2345,
"number_observations_unique": 415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 39.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}