Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27868a7fd95678ce820f3b1618d03bd5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.451,
"b": 45.832,
"c": 62.326,
"alpha": 90.00,
"beta": 112.27,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.830,2.050],
"number_observations": 84550,
"number_observations_unique": 19012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 6461,
"number_observations_unique": 1452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.584
},
{
"type": "R(meas)",
"value": 0.662
},
{
"type": "R(pim)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [45.830,8.940],
"number_observations": 1089,
"number_observations_unique": 250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 25.600
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}