Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ebcbde6f2bfab1dc8a9dbc0f903c29d1",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 60.13,
"b": 95.78,
"c": 49.42,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.87260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [95.759,1.996],
"number_observations": 64202,
"number_observations_unique": 19935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.100,1.990],
"number_observations": 8935,
"number_observations_unique": 2791,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(pim)",
"value": 0.219
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [2.230,2.100],
"number_observations": 8876,
"number_observations_unique": 2723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.380,2.230],
"number_observations": 8355,
"number_observations_unique": 2549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.580,2.380],
"number_observations": 7828,
"number_observations_unique": 2400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [2.820,2.580],
"number_observations": 7158,
"number_observations_unique": 2200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
{
"resolution_limits": [3.150,2.820],
"number_observations": 6557,
"number_observations_unique": 2018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [3.640,3.150],
"number_observations": 5756,
"number_observations_unique": 1790,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [4.460,3.640],
"number_observations": 4909,
"number_observations_unique": 1546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [6.310,4.460],
"number_observations": 3765,
"number_observations_unique": 1209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.100
}
]
},
{
"resolution_limits": [38.180,6.310],
"number_observations": 2063,
"number_observations_unique": 709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 2.900
}
]
}
]
}