Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17ccf9d785163c32991d3af73bf50da7",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 114.759,
"b": 164.965,
"c": 47.363,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [164.965,1.886],
"number_observations": 372534,
"number_observations_unique": 69522,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.990,1.890],
"number_observations": 16680,
"number_observations_unique": 7487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 71.900
},
{
"type": "Redundancy",
"value": 2.200
}
]
},
{
"resolution_limits": [2.110,1.990],
"number_observations": 26387,
"number_observations_unique": 9321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(pim)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 2.800
}
]
},
{
"resolution_limits": [2.250,2.110],
"number_observations": 40497,
"number_observations_unique": 9431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.430,2.250],
"number_observations": 56502,
"number_observations_unique": 8790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.670,2.430],
"number_observations": 54497,
"number_observations_unique": 8129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.980,2.670],
"number_observations": 50921,
"number_observations_unique": 7407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [3.440,2.980],
"number_observations": 45316,
"number_observations_unique": 6565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [4.220,3.440],
"number_observations": 37784,
"number_observations_unique": 5586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [5.960,4.220],
"number_observations": 29463,
"number_observations_unique": 4429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [164.965,5.960],
"number_observations": 14487,
"number_observations_unique": 2377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 6.100
}
]
}
]
}