Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1ad0cdae967fe90af24babcf047ba981",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.07,
"b": 106.17,
"c": 152.78,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.010,2.400],
"number_observations": 325686,
"number_observations_unique": 35543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "R(meas)",
"value": 0.279
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 32362,
"number_observations_unique": 3471,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.610
},
{
"type": "R(meas)",
"value": 2.773
},
{
"type": "R(pim)",
"value": 0.900
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.345
}
]
},
{
"resolution_limits": [62.010,8.980],
"number_observations": 6442,
"number_observations_unique": 806,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 22.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}