Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "31b4d188d2b1936006d3f1a1fa11cdf6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 27.147,
"b": 56.146,
"c": 28.688,
"alpha": 90.00,
"beta": 95.89,
"gamma": 90.00
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.439,1.090],
"number_observations": 225605,
"number_observations_unique": 33282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.130,1.090],
"number_observations_unique": 2791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "Completeness",
"value": 78.000
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [1.170,1.130],
"number_observations_unique": 3261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.230,1.170],
"number_observations_unique": 3281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.290,1.230],
"number_observations_unique": 3359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.370,1.290],
"number_observations_unique": 3348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.480,1.370],
"number_observations_unique": 3377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [1.630,1.480],
"number_observations_unique": 3425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.860,1.630],
"number_observations_unique": 3454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.350,1.860],
"number_observations_unique": 3514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [50.000,2.350],
"number_observations_unique": 3472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 6.300
}
]
}
]
}