Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3e90f426cd0dbc2726c09696b3fb1b1b",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 95.951,
"b": 95.951,
"c": 80.890,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.096,2.200],
"number_observations": 263957,
"number_observations_unique": 22239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 26.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.320,2.200],
"number_observations": 38252,
"number_observations_unique": 3200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [2.460,2.320],
"number_observations": 36924,
"number_observations_unique": 3051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [2.630,2.460],
"number_observations": 34225,
"number_observations_unique": 2836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.179
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [2.840,2.630],
"number_observations": 32245,
"number_observations_unique": 2672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.100
}
]
},
{
"resolution_limits": [3.110,2.840],
"number_observations": 29547,
"number_observations_unique": 2463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [3.480,3.110],
"number_observations": 26780,
"number_observations_unique": 2239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.000
}
]
},
{
"resolution_limits": [4.020,3.480],
"number_observations": 23621,
"number_observations_unique": 1998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.800
}
]
},
{
"resolution_limits": [4.920,4.020],
"number_observations": 19539,
"number_observations_unique": 1676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [6.960,4.920],
"number_observations": 15178,
"number_observations_unique": 1342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
}
]
},
{
"resolution_limits": [26.963,6.960],
"number_observations": 7646,
"number_observations_unique": 762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 10.000
}
]
}
]
}