Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5aa9336319ef6d7841b22465eb47ef46",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.161,
"b": 71.909,
"c": 76.769,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98298],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.360,1.250],
"number_observations": 1166814,
"number_observations_unique": 89446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 46.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.270,1.250],
"number_observations": 54583,
"number_observations_unique": 4364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [46.360,6.850],
"number_observations": 7428,
"number_observations_unique": 645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 110.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}