Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47523abd3ee1d2b6ec7811eca7e5a268",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.310,
"b": 71.310,
"c": 150.294,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.360,1.180],
"number_observations": 1109492,
"number_observations_unique": 112448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.200,1.180],
"number_observations": 908,
"number_observations_unique": 845,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.200
},
{
"type": "R(meas)",
"value": 1.691
},
{
"type": "R(pim)",
"value": 1.191
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 13.800
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.074
}
]
},
{
"resolution_limits": [29.360,6.460],
"number_observations": 10592,
"number_observations_unique": 922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 53.600
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}