Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "85e64efb02fbb502e6b08ecfcf767906",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 68.262,
"b": 108.213,
"c": 47.390,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.390,1.480],
"number_observations": 422798,
"number_observations_unique": 58912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.480],
"number_observations": 21331,
"number_observations_unique": 2847,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.146
},
{
"type": "R(meas)",
"value": 1.230
},
{
"type": "R(pim)",
"value": 0.442
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.661
}
]
},
{
"resolution_limits": [47.390,8.110],
"number_observations": 2653,
"number_observations_unique": 438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
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},
{
"type": "I/SigI",
"value": 45.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}